Abstract Book - ICFME-2022

OUR SPONSORS
SCIENCE & ENGINEERING RESEARCH BOARD (SERB)

www.serb.gov.in
Council of Scientific & Industrial Research (CSIR)

www.csir.res.in
International Conference
On
FRONTIERS IN MATERIALS ENGINEERING
ICFME-2022
December 14 – 16, 2022
ABSTRACT BOOK
Organized by
Department of Metallurgy Engineering and Materials Science
INDIAN INSTITUTE OF TECHNOLOGY INDORE
© MEMS IIT Indore

International Conference on Frontiers in Materials Engineering - 2022
PATRON
Prof. Suhas S. Joshi

Director
Indian Institute of Technology Indore
ADVISORY COMMITTEE
Prof. M. Okazaki Prof. B.S Murty Prof. Ashok K Ganguli

Niigata Institute of Technology Indian Institute of Technology Indian Institute of Technology
Japan Hyderabad, India Delhi, India
Prof. Vijayamohanan K Pillai

Prof. Mihriban O. Pekguleryuz Indian Institutes of Science Prof. Kallol Mondal
McGill University, Education and Research (IISER), Indian Institute of Technology
Canada Tirupati, India Kanpur, India
Prof. Rajesh Prasad Prof. Sung Hun Jin

Indian Institute of Technology Incheon National
Delhi, India University, South. Korea
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ORGANIZING COMMITTEE
Prof. Ajay Kumar Kushwaha Prof. Nisheeth Kumar Prasad

MEMS, IIT Indore MEMS, IIT Indore
(General Chair) (Organizing Chair)
Prof. Dhirendra K. Rai Prof. Vinod Kumar Prof. J. P. Murugesan

MEMS, IIT Indore MEMS, IIT Indore MEMS, IIT Indore
(Technical chair) (Publication chair) (Publicity Chair)
Prof. R.S. Maurya Prof. Sumanta Samal Prof. Hemant Borkar

MEMS, IIT Indore MEMS, IIT Indore MEMS, IIT Indore
(Hospitality Chair) (Registration Chair) (Venue Chair)
SUPPORTING STAFF
Mr. Shubham Verma,

Lab Assistant, MEMS IIT Indore
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STUDENT ORGANIZING COMMITTEE
Lokanath Mohapatra Gopi Talluri Nilima Sinha

Ph.D. Scholar Ph.D. Scholar Ph.D. Scholar
Piyush Kumar Ankush Marodkar Subhash Yadav

Mayank Singh Shrish Nath Upadhyay Hitesh Patil

Gokul M Pillai Naveen L M S V Ramanan

Ph.D. Scholar Ph.D. Scholar M.Tech
Niraj Saini Vernika Gautam

B.Tech B.Tech
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MESSAGE FROM THE DIRECTOR
Professor Suhas S. Joshi (FINAE, FNASI, FASME)
It gives me immense pleasure to invite all renowned scientists, academicians, and researchers
from all over the globe to attend the International Conference on Frontiers in Materials Engineering
(ICFME-2022) organized by the Department of Metallurgy Engineering and Materials Science, IIT
Indore.
I look forward to an excellent conference with great scientific discussions on various aspects
of interdisciplinary research in related areas and participants getting an opportunity to listen to
distinguished experts. ICFME-2022 aims to bring together experts, scholars, and researchers from
various parts of the globe on a common platform to discuss the advances and challenges in the above
areas. It seeks to promote top-level research and to globalize quality research, thus making presentations
and discussions more internationally competitive and focusing attention on the recent outstanding
achievements in the field of material sciences and metallurgical engineering and future trends and needs.
Further, the conference will stimulate the development of novel collaborations toward performing
innovative research and open new fields of research.
I wish the conference immense success and look forward to a stimulating scientific debate,
developing novel collaborations and benefiting young scientific minds.
Professor Suhas S. Joshi

Director, Indian Institute of Technology Indore
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FOREWORD
Namaste, I extend a warm welcome to distinguished speakers, eminent participants, and

members of organizing committee in first International Conference on Frontiers in Materials
Engineering (ICFME-2022) at IIT Indore Campus. The major objective of ICFME-2022 is to provide
a platform to bring together academician, scholars, and students of materials science and engineering
to discuss and exchange innovative ideas. To understand the challenges related to the applied materials.
I hope this conference provides an exciting platform for new researchers to learn the advancement in
material science and engineering from the experienced researchers.
This three-day conference designed to highlight the latest developments in the fields of
advanced materials synthesis, characterization, and various applications. As we know, the materials are
the backbone of our social and economic development. The advancement in any technology is directly
linked with the advancement in the related materials and their engineering. As a materials scientist and
engineer, we always work to come up with better solutions for the existing challenges and future
prospective. To realize this concept, the sharing of knowledge become an important aspect, henceforth
the idea of ICFME-2022 came into existence. The conference emphasizes to promote multidisciplinary
research for finding sustainable solutions to real-world problems.
I would also like to express my deepest gratitude to all the organizations that have contributed
financially and technically to the execution of this conference.
With best wishes
Prof. Ajay Kumar Kushwaha

General Chair, ICFME-2022
&
Associate Professor
Department of Metallurgy Engineering and Materials Science
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TABLE OF CONTENTS
SN CONTENTS PAGE No.

SPEAKER TITLE
i Keynote Talks 1
Prof. Pravat Heterostructures of Two-Dimensional Layered Materials:
1 1
Kumar Giri Intriguing Photo-Physics and Emerging Applications
Prof. Koushik Li-Ion Battery (LIB) Materials: Design guidelines and state-of-
2 1
Biswas the-art
Prof. Tapas
Corrosion behavior of Fe-based metallic glass composite
3 Laha 2
coating: Synergistic effect of amorphicity and porosity
Prof. Tarun Photocatalytic Abatement of Water Pollutants by Li/P-g-C3N4
4 3
Kumar Kundu Nanosheet: An Experimental and DFT Study
Dr. Mohit Advanced Composite Technologies: Interfacial Strengthening,
5 3
Sharma Sustainability and Prospective for Industrial Deployment.
Prof. Gandham Parametric space mapping for microstructure prediction in
6 4
Phanikumar ICME
Prof. Yogendra Tetrapods based Smart Materials for Advanced Technologies
7 4
Kumar Mishra
ii Invited Talks 7
Dr. Manoj K. X-ray Fluorescence Spectroscopy in Materials Science
1 7
Tiwari
Prof. Ashish Transition Metal Dichalcogenides as Efficient Electrocatalysts
2 7
Kumar Mishra for environmentally Friendly Rechargeable Zinc Air Battery
Prof. Harish Conducting polymer and reduced graphene oxide-based
3 8
Kumar advanced functional nanomaterials for novel applications
Prof. Santosh S
4 Surface Engineering of Steels: Microstructure and Properties 8
Hosmani
Dr. Jeotikanta Coercivity limits in nanoscale ferromagnets: Brown’s paradox
5 9
Mohapatra revisited
Dr. Payal Biomimetic Materials in Dentistry: Current Status & Future
6 9
Saxena Aspects
Novel two-dimensional thin films efficient for energy and
Prof. Vivek K.
7 environment applications: A Density Functional Theory (DFT) 10
Yadav
study
Prof. Ajit K Magnetic ground state of geometrically frustrated Mn2-xFe1+xAl
8 10
Patra Heusler alloys
Dr. Alok Morphology dependent behaviour of δ-MnO2 cathode for
9 11
Kumar Rai aqueous zinc ion batteries
Dr. Upendra Bandgap analysis of transition-metal dichalcogenide and oxide
10 12
Awasthi via machine learning approach
Dr. Sachin Ultra-low Schottky barrier height in single layer MoS2 with
11 12
Gupta PMA electrodes
Prof.
12 Parasharam M. 2D Metal Oxide Materials for Multifunctional Applications 13
Shirage
Prof. Hemen Graphene derivatives-based sensing, monitoring, and
13 13
Kumar Kalita remediation for environmental application
Prof. Hitesh Anion out-diffusion resistive switching in heterostructure thin
14 14
Borkar films for memristor applications
Prof. Venkata
Novel Processing Strategies of Few-Layered Graphene and Its
15 Satya Siva 14
Composites
Srikanth Vadali
icfme2022.iiti.ac.in xi Abstract Book

Prof. Rahul M ICME and Machine Learning approach for the accelerated
16 R design and development of advanced materials 15
iii Contributed Papers: Abstracts 16

iii(a) Materials Synthesis, Processing and Characterization 17
Shrey A comparative study of microstructural behaviour in ex-situ and
1 Bhatnagar in-situ TiC/Inconel 625 MMCs deposited by pre-placed laser 17
cladding
Aditya Design and Development of Novel Coenzyme-A Capped Silver
2 17
Kurdekar Nanoparticles with Third-Order Optical Nonlinearity
Priyanka Mitra Multiferroic effect of 0.1Bi4Ti3O12-0.9BiFeO3 composite in 0-3
3 18
connectivity for non-volatile memory device application
Ashutosh X-ray based synchrotron study of Cr-doped VO2 thin films
4 18
Kumar
Ritu Raj Synthesis, structural and dielectric performance of multilayer-
5 19
structured Nickel decorated MXene nanocomposites
6 Abhishek Soni Mechanical and Tribological Characterization of NiB Coating 19
Ritu Parashar Development of Composite Membrane for Radioactive
7 20
Separation
Paipuri Pavan Study on Mechanical and Microstructural Behaviour of Al5052
8 Venkat Hybrid Metal Matrix Composite Reinforced with Al2O3 and 20
Si3N4 Particles
Aradhana Structural and Magnetic Properties of Co doped TiO2
9 Kumari Nanoparticles Annealed at Various Temperatures Studied by 21
Synchrotron-Based X-ray Techniques
Ajay Kumar Synthesis of Inconel 718 Super alloy using Laser Directed
10 21
Maurya Energy Deposition
Gyanendra Ultra high responsive broad band photodetector using n-
11 21
Kumar Maurya Bi2Se3/p-TlBiSe2 TI heterojunction
Sanukta Jena Resonance Photoemission Spectroscopic Study of Thermally
12 22
Evaporated NiTiO3 Thin Films
Riya Dawn Electronic and Magnetic Properties of FeCr2O4 Nanoparticles
13 by Advanced Synchrotron Based Soft X-Ray Magnetic Circular 22
Dichroism
Durgabatee Synthesis and Characterization of Ti3AlC2 MAX Phase
14 23
Rout
15 Ummed Singh High Strain Rate Electro-Explosive Clinching Process 23
Dhruv Deshwal A Brief Overview of Magnetic Metal – Carbon
16 23
Nanocomposites
Jhansi High Aspect Ratio Silver nanowire Synthesis by Modified
17 24
Kokkiligadda Polyol Method
Varsha M V Bimetallic Copper based MOF for the Sensitive
18 24
Electrochemical Detection of Ciprofloxacin
Shahid Hussain Characterization of Cu-BaAl2O4 composite coating deposited
19 25
by a novel explosive spray setup
Purnendra Manufacturing eco-friendly fly ash bricks with rice sheath
20 25
Kumar Sahu reduce costs and CO2 emissions
Mohd Salman Highly sensitive few-layer MoS2 nanosheets as a stable soil
21 25
Siddiqui moisture and humidity sensor
Akshay Effect of Zn addition on the structure and mechanical properties
22 26
Devikar of Mg-3Ca alloy foams
Navindra Addition of La2O3 content in the W-Ni-Cu Heavy Alloy
23 Shekhar processed through the Powder Metallurgy route 26
Shakunt
icfme2022.iiti.ac.in xii Abstract Book

Adarsh Preparation of rutile nano-titania from micron size anatase

24 Kushwaha titania via combustion synthesis followed by co-precipitation 27
method
Mukesh Kumar Structural, optical and dielectric properties of Pd decorated CdS
25 27
Gurjar Nanocomposites
Sumit Kumar Effect of Sintering temperature, Time, and Atmosphere on
26 Sahu microstructural behaviour of carbide of High-Speed Steel 28
fabricated by PM route
Bibek Kumar Structural Characterization of High Entropy Alloy
27 28
Singh Nanoparticles Synthesized Using Laser Ablation Technique
Shashank Jyoti Synthesis and Structural Properties of Nickel Selenide
28 29
Nanoparticles
Bhagyashree Architecture of TiO2@MXene/B-g-C3N4 heterostructure
29 Priyadarshini towards photocatalytic H2O2 generation through Z-scheme 29
Mishra charge dynamics
Vidushi Enhanced performance of n-Bi2Se3 /n-Bi2Te2Se heterojunction
30 30
Gautam for highly responsive photodiode applications
Prabhav Joshi Effect of Rare Earth Sm substitution on the structural properties
31 30
of BiFeO3
Ipsita Madhu Development of novel Al alloy composites based on tungsten-
32 30
Mita Das based nanocrystalline dispersoids
Sweta Gurung Thermal and Electrical Properties of Nanocomposites of
33 31
Reduced Graphene Oxide and Silver Nanoparticles
Jayashri Electrical Conduction Mechanism in Mg0.5Ca0.5TiO3:xS3+
34 31
Mahapatro Prepared by Solid State Reaction Method
Dilip Pandey Ligand based stimuli responsive D10 Coordination
35 32
polymerstion Pol
Vaibhav Gaur Effect of deformation on mechanical properties and lattice
36 32
parameters in Ti-6Al-4V through cryo rolling
Dipak Bhosale Foaming of Mg alloys using dolomite as blowing agent
37 33
stabilized by in-situ formed MgAl2O4 particles
Piyush Kumar Microstructure and Mechanical properties of Ni-Al-Co-Cr-Fe-
38 33
Ti-Ta-Mo-W based high entropy superalloy
Gaurav Gupta Study on the role of Sn addition on the mechanical and
39 34
corrosion behavior of Mg-Zn-Si alloy
40 Parveen Ansari Nanocomposite materials for optoelectronics applications 35
Mahima Rana Design and Performance Enhancement of High Frequency
41 35
BAW Resonators
A. L. Saroj Bio-polymer Electrolytes Based on Chitosan (CS): Structural,
42 36
thermal and Ion transport properties study
Lokanath Photoelectrochemical water splitting performance of Zn2SnO4
43 36
Mohapatra nanorods grown on ZnO deposited FTO Substrate
Subhash Chand Synthesis of NiO Hole Transport Layer for Efficient Inverted
44 37
Yadav Perovskite Solar Cells
Harita Pant Cobalt oxide decorated graphenaceous nanocomposite as
45 electro-catalyst for efficient oxygen evolution reaction in water 37
electrolysis
Tanushree Electrodeposition of Polymer and metal oxides for application
46 37
Ghosh in auxiliary Electrochromic and Energy storing electrode
Yogendra Synthesis and characterization of PVP assisted zinc titanate
47 Yadawa nanorods and their applications in the visible light 38
photocatalytic degradation of pollutants
Ravi Shankar Development of metal-oxide nanostructured interphase in basalt
48 39
Rai fiber reinforced polymer composites for structural applications
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Ankush S. Microstructure and tensile properties of AZ91 alloy with

49 39
Marodkar individual and combined Calcium and Strontium additions
Hitesh Pati Effect of Addition of Ca and Sr on The Microstructure and
50 40
Creep Behavior of Squeeze Cast AZ91 Mg alloy
Pankaj K. Influence of Bi doping on the structural, microstructural and
51 Mishra electrical properties of Se-Sn glassy alloys 40
iii(b) Mechanics of Materials 41

Manoj Kumar Characterization of a detachable fins A Review
52 41
Gupta
53 Gaurav Dane Sustainable and Environmental Materials 41
Sanjay Jain Pressure Dependent Ground State, Elastic and Thermo Physical
54 Properties of Properties of Europium and Lanthanum Mixed 42
Alloy Chalcogenides EuxLa1-xS (x = 0, 0.45, 0.85, 1).
Seelam Development of Super-strong High Entropy Alloys by a Novel
55 Rajasekhar Hybrid Processing Route 42
Reddy
Sandeep Sahu Microstructure and mechanical properties of additive
56 manufactured and high-pressure torsion processed 43
IN718/SS316L multi-material structures
Divse Vishwas Elucidating the Grinding Material Removal Mechanism using
57 Tukaram Adjacent Grit Scratching and Cross Scratching: Finite Element 43
Modeling
iii(c) Corrosion and Surface Protection 44
Ritu Parashar Electrochemical Corrosion Studies of Metals & Alloys for
58 Membrane Reactor Applications in HIx Section of IS 44
Thermochemical Process for Hydrogen Production
Girish Khanna Galvanic Corrosion Behavior of FeCoNiCrVZr5 Eutectic High
59 44
R Entropy Alloy
Ranjana Yadav To Reduce Corrosion and Enhance Production rate of Electrode
60 45
Manufacturing Process by Control Combustion Technique
Ratan Ahuja Fabrication of Titanium Nanotubes for Anti-fogging
61 45
Application
Arnab Das Improvement in tool wear behavior and tool life in high-speed
62 46
micro turning using hybrid cryogenic cooling technique
iii(d) Energy Materials 47
Hari Structural and Transport Properties of P2-Type
63 Narayanan Na0.70N0.20Cu0.15Mn0.65O2 Layered Oxide 47
Vasavan
Kumar Electrochemical performance as a tool to analyse optimised
64 47
Abhishek urchin shaped Zirconia
Samriddhi Tailored P2-O3 Phase Dependent Electrochemical Behaviour of
65 48
Saxena Mn-based Layered Oxide Cathodes for Sodium-Ion Batteries
Ashish Kumar Fabrication and Characterisation of PVDF-HFP based
66 48
Das Composite Electrolyte
Siddhant Flaky Nickel Cobalt Selenide for High Energy Density All-
67 49
Srivastav Solid-State Hybrid Supercapacitors
Bhawna Anion/cation Substitution in Lead-free Halide Double
68 49
Perovskite Films: Towards Bandgap Optimization
Rekha Yadav Bandgap Engineered Mixed-Halide MAPbBr3-XClX Perovskite
69 50
Films via Vacuum-Based Deposition Approach
Nakka Anitha Bamboo-shell based binder free activated carbon electrode for
70 50
high-performance supercapacitor applications
Nikky Tailoring the Opto-Electronic Properties of Oxide-Metal-Oxide
71 51
Chandrakar Transparent Electrode Using Cu Seed Layer
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Vartika Barium titanate-based, lead-free ceramics of different

72 51
Khandelwal compositions: a detailed structural analysis
Rajashree Design of Heterostructured Ceria Nanoparticle Decorated
73 Priyadarsini MXene Photocatalyst for Enhanced Solar Hydrogen Generation 52
Mishra
Neeraj Lamba Ultra-porous Cobalt Nickel Oxide for High Efficient All-Solid-
74 52
State Asymmetric Supercapacitors
Manish Badole Importance of Salts Selection in Fabrication of K0.5Bi0.5TiO3
75 53
Ceramics via Molten Salt Synthesis
Jitesh Pani Electrochemical behaviour of wet chemical processed
76 53
Pr2CrMnO6 double perovskites
Shivendra Medium dielectric constant of rare earth chromites
77 54
Kumar Tiwari
Shashank Role of pore size and pore volume in Fe-doped cobalt
78 54
Sharma hydroxide-based nanomeshes for oxygen evolution reaction
Chandramohan Infrared Solar Module Defect Classification using
79 54
Bhuma Convolutional Neural Networks and SMOTE Ensembles
Sachin Kamath Development of Synthetic Natural Gas (SNG) Production
80 55
Process using Green Hydrogen
Nikhil Gupta NiHCF/CNT as a High-performance Solid-State Supercapacitor
81 55
with enhanced cyclic stability
Aparna Singh Chemical and Sorption characteristics of Coal bed Methane and
82 56
Shale Gas Reservoirs
Hemant Low-Temperature Synthesis of Lead-Free Cs2AgBiBr6 Double
83 56
Gulupalli Perovskite Ink
Palak Mehra Nitrogen- and Oxygen-Functionalized Few-Layer Graphene for
84 Low Activation Barrier Solid-State Proton Conduction and 56
Supercapacitor applications
Arun Kumar Synthesis and Characterization of graphitic carbon nitride and
85 zinc oxide nanoparticles-based nanocomposite for 57
supercapacitor electrode material application
Aditya Green emission and photoelectrical properties of low
86 57
Bhardwaj concentration Mn doped CsPbBr3 nanocrystals
Mayank Kumar Construction of reduced graphene oxide and nickel oxide based
Singh 2D/3D heterostructures: A experimental and theoretical
87 58
investigations for supercapacitor and hydrogen evolution
reactions
Shrish Nath 2D Janus MoSSe Transition Metal Dichalcogenide: An
88 58
Upadhyay Efficient Electrocatalyst for H2 Evolution
Nilima Sinha Hydrogen Physisorption on Covalent Organic Framework
89 Linkers and Metalated Linkers: A Strategy to Enhance Binding 59
Strength
Vernika Ni-Co-P alloy electrode for hydrogen evolution reaction.
90 60
Gautam
iii(e) Sustainable and Environmental Materials 61
Deepti Electrochemical detection of arsenic in drinking water using
91 61
carbon-based electrodes
Smriti Mishra Copper oxide/graphitic carbon nanofiber dispersed array-based
92 electrochemical sensor for detection of quinalphos and 61
imidacloprid pesticides
Shweta Girish Solar reduced graphene oxide as highly stable and ultra-
93 62
Malpure sensitive electrocatalyst for detection of Paracetamol
Ajayan T S Investigation on Carbon Emissions from Cooking with the Use
94 62
of LPG in India
Yusuf Wali A Study on Gas-Sensing Performance of Metal Oxide
95 62
Nanostructures for Detecting NH3
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Anand Kumar Photocatalytic applications of ZnO coated Fe3O4

96 63
Vishwakarma nanocomposite under UV light
Ankit Kumar Piezocatalytic, photocatalytic and piezo-photocatalytic
97 Singh activities of Sr-doped Barium Titanate ceramics in degradation 63
of organic dye.
Anupriya LaFe1-xCoxO3 (X=0, 0.01): a novel photo-Fenton catalyst for the
98 64
James degradation of organic pollutants under visible light irradiation.
Montek Photodielectric Effect in Ferroelectrics with Intrinsic Defects
99 64
Mohapatra
Subhra A Review of TiO2:ZnO Nanocomposite as Gas Sensor
100 Priyadarshini 65
Behura
Rini K. Separation of Strontium ions using Surface Modified Graphene
101 65
Vishwakarma Oxide Membranes
Priyanka Roy An analysis of absorber thickness variation and ideality factor
102 66
at different levels of conduction and valance band offset.
Trideep KR Efficient State-of-the-Art Tool to Customize Carbon Nano
103 66
Batchayan Particle Fabrication for Harnessing Surface Properties
iii(f) Materials for Strategic and Societal Applications 67
Ashok Kumar Innovative 3d Woven Structures for Automotive Seat Cover
104 67
Shriwastawa
Aditya Assistive Sensors and AI based Paralytic Communication Aid
105 Chandre Blended with Brain Computer Interface (BCI): A Cost- 67
Effective Approach
Sumit Kumar Machinability study of Ti-grade 5 and Inconel 625 alloy using
106 68
coconut oil dielectric in Maglev EDM
Kuldeep Comfort enhancement and Damage Minimization of Airline
107 68
Passenger Seat frame using Nitinol Insert
Dr. Sunita Pulsed Laser Deposited Protective Coating of Zirconia on
108 Kedia Ti6Al4V Bio-alloy for Improved Electrochemical, Tribological 69
and Antibacterial Properties
Sakshi Singhal Design of Single Stage Distillation Column for High Purity
109 69
Hydrazine – A Monopropellant for Spacecraft Propulsion
iii(g) Computational Modeling and Simulation 71
Rahul Kumar Role of Fluxionality and Metastable Isomers in the ORR
110 71
Sharma Activity
Pandiselvi D Computational Investigation of Structure-Luminescence
111 71
Activity of Organic Donor-Acceptor-Donor Triad
Kiruthika S Atomistic Simulation of Absorption Spectra of Magic Sized
112 CdSe QDs and Charge Transfer Dynamics of CdSe QDs- 72
Molecule Nanohybrids
Md Ashraf Effect on Stability of GC Base Pair in their Neutral and Ionized
113 72
Ayub States: A DFT Study
Prabhakar Influence of Thickness Parameter on the EMI Shielding
114 73
Dubey Effectiveness of CBNC in C-Band: A Numerical Study
Naveen L Design and Development of single phase BCC Refractory
115 High-Entropy alloys using Machine learning and Arc Melting 73
Approach
Harpriya Ultralow Thermal Conductivity and High Thermoelectric
116 Minhas Performance of γ-GeSe: Effects of Dimensionality and 74
Thickness
Vipin Kumar Optoelectronic Properties of Benzodifuran (BDF) Isomers:
117 74
DFT/TD-DFT Studies
Sandeep Jain Solidification simulation with experimental validation of
118 75
single-phase Fe-Co-Cr-Ni-V high entropy alloy
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Sandeep Molecular dynamics simulation-based sintering behavior study

119 75
Kumar Sahni of Fe-35%Ni alloys many particles system
Saurabh Comparative Analysis of Hydrogen Sorption in Large-Sized
120 Mishra Single-Walled Carbon Nanotubes and Multi-Walled Carbon 76
Nanotubes: A Molecular Dynamics Study
Viren Tyagi, First-principles study of electronic and thermoelectric
121 76
Mani Bhardwaj properties of NiYAs half-Heusler compound
Suneetha N Strong topological behavior in Mercury Telluride: estimated
122 76
from first principles calculations.
Nikhil A novel approach for training a machine learning algorithm for
123 77
Chaurasia microstructural phase segmentation
Poorvi K Joshi Materials, Design and Analysis of Thin Film Bulk Acoustic
124 77
Resonator (FBAR) Filter for RF Applications
iv SPONSORS 79
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KEYNOTE TALKS
KEYNOTE SPEAKER
Prof. Pravat Kumar Giri

Department of Physics and Centre for Nanotechnology, Indian Institute of
Technology, Guwahati 781039, India.
E-mail: giri@iitg.ac.in
Title: Heterostructures of Two-Dimensional Layered Materials: Intriguing Photo-

Physics and Emerging Applications
Abstract: Heterostructures of two-dimensional (2D) layered semiconducting materials with
conventional semiconductors and metal nanostructures are gaining a lot of attention due to their superior
properties as compared to their individual counterparts. 2D layered interfaces are often created by post-
growth wet transfer method, which may alter its properties and eventually lead to poor device
performance. In-situ growth of heterostructures with seamless interface is highly desirable for high
performance device applications. In this talk, I will give an overview of our ongoing research on large
area CVD/chemical growth of monolayer graphene, monolayer MoS2, WS2, PdSe2, Bi2Se3, Bi2O2Se,
MXene, graphene/ZnO, and MoS2/TiO2, MoS2/WS2, Bi2O2Se/Perovskite heterostructures,
ZnO/WS2/ZnO quantum well etc and their applications in optoelectronics, energy, environment,
biosensing. As a case study, I shall elaborate on the physics of coupled charge transfer dynamics and
doping in MoS2/WS2 heterojunction, and next, on the control and manipulation of many-body
quasiparticles (trions and biexcitons) in ZnO/WS2/ZnO 2D quantum wells. The importance of a rational
design of 2D heterostructures for various emerging applications will be highlighted in this talk.
KEYNOTE SPEAKER
Prof. Koushik Biswas

Department of Metallurgical and Materials Engineering, Indian Institute of
Technology Kharagpur, INDIA
E-mail: k_biswas@metal.iitkgp.ernet.in
Title: Li-Ion Battery (LIB) Materials: Design guidelines and state-of-the-art

Abstract: Due to increasing demand of power and energy sources, the design and fabrication of low-
cost and renewable energy storage devices have become a new challenge. Mostly commercially
available and scalable energy storage systems are based on either Lead-acid based or Lithium-ion
battery (LIB). Though the Lead-acid battery technology is safe but suffers from low energy density with
limited cycle life. Chemistry of Li battery technology has been well understood and leading the market
due to high energy density and low-capacity decay upon charge-discharge. Till date, lithium-ion
batteries are the state-of-the-art electrochemical energy storage technology for stationary (electronic
devices and storage) and movable (EVs) applications. Herein, a comprehensive overview of very recent
trends concerning important lithium ion battery systems will be discussed highlighting relative
advantages and disadvantages of them. Moreover, the materials design aspect in light of Density
Functional Theory (DFT) will also be addressed. DFT is a powerful tool to predict and characterize
materials in terms of their structural stability, electronic conductivity, energy density and
electrochemical properties for Li ion battery electrode.
icfme2022.iiti.ac.in 1 Abstract Book

Simulation studies regarding structural and electronic properties, effect of ion insertion-extraction
during charge-discharge on structure, electronic states and electrochemistry of Li2FeSiO4, Li2FeVO4
and LiFeTiO4 prior to experimentation, would give an insight on functional material properties relating
to electrode application and on the basis of that oxide materials can be selected for further experimental
evaluation through device application. Material property studies and electrochemical analysis of
LiFeTiO4 and Li2FeTiO4 would help to provide an identification of efficient electrode material for
energy storage application. DFT analysis has provided insight into structural details and stability,
Density of state (DOS) calculation and band gap estimation, electrode characteristics (intercalation-
deintercalation voltage) estimation.
KEYNOTE SPEAKER
Prof. Tapas Laha

Department of Metallurgical and Materials Engineering, Indian Institute of
Technology Kharagpur, West Bengal 721302, India.
E-mail: laha@metal.iitkgp.ac.in
Title: Corrosion behavior of Fe-based metallic glass composite coating: Synergistic effect
of amorphicity and porosity
Abstract: The exceptional combination of mechanical properties and corrosion resistance makes Fe-
based metallic glass (MG) composite coating synthesized by thermal spraying processes a viable
candidate for long-term surface protection of different components in various applications. Presence of
crystalline phases in glassy matrix of the MG composite coating improves the mechanical properties;
however, these phases can cause degradation in the corrosion behavior. Apart from this, porosity
generated during spraying process is another major inevitable defect in such coatings. In general, the
above-mentioned attributes (viz. amorphicity and porosity) have detrimental effect on the corrosion
properties of MG composite coatings. However, identification of a microstructural characteristic among
amorphicity and porosity to have a greater impact on the corrosion resistance of the thermal sprayed
Fe-based MG composite coating has remained elusive so far. Hence, for resolving this issue, in-situ
MG composite coatings (Fe63Cr9B16C7P5, at. %) were prepared by high velocity oxygen fuel spraying,
along with two melt-spun ribbons (free from porosity) with varying level of amorphicity, viz. (i)
completely amorphous, FA-Rib and (ii) similar in amorphicity as that of the coatings, PA-Rib. The idea
behind this was to eliminate the porosity aspect of such composite coatings and investigate the extent
of deterioration in corrosion properties caused by amorphicity and porosity individually. The results
obtained from electrochemical characterizations along with Raman analysis and Auger electron
spectroscopy revealed amorphicity as the primary factor that affects the corrosion resistance of Fe-
based MG composite coating. Moreover, the influence of a minor amount of Mo addition on the
corrosion resistance of Fe-based MG composite coating (Fe57Cr9Mo5B16C7P6, at. %) was also
investigated compared to the Mo-free coating. An improved corrosion resistance was observed in case
of Mo-containing coating, attributed to the enhanced passivation ability resulting from increased
fraction of protective and stable Cr- and Mo-oxides in passive film. Interestingly, both the composite
coatings (lower Cr and Mo content) exhibited superior corrosion resistance than that of SS316L coating
(high Cr, synthesized with industrially optimized parameters), demonstrating their effectiveness as
inexpensive surface protective coatings. This work will eventually assist in the development of
inexpensive Fe-Cr-based MG composite coating possessing enhanced corrosion resistance.

KEYNOTE SPEAKER
Prof. Tarun Kumar Kundu

Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur,
West Bengal, India-721302
E-mail: tkkundu@metal.iitkgp.ac.in
Title: Photocatalytic Abatement of Water Pollutants by Li/P-g-C3N4 Nanosheet: An

Experimental and DFT Study
Abstract: Li and P co-doped graphitic carbon nitride (Li/P-g-C3N4) nanosheets are prepared by a facile
calcination process of melamine, lithium chloride, and ammonium dihydrogen phosphate at elevated
temperature. The methylene blue (MB) degradation efficiency of Li/P-g-C3N4 photocatalyst is 83 %
which is approximately two times the degradation efficiency of pristine-g-C3N4 (49 %) and also higher
than the degradation efficiency of single element doped, i.e., P-g-C3N4 (61.4 %) and Li-g-C3N4 (69 %)
photocatalysts. The degradation rate constant for Li/P-g-C3N4 photocatalyst (0.023 min-1) is
approximately 2.6 times higher than pristine-g-C3N4 (0.009 min-1). The synergetic effect of metal and
non-metal co-doping is the reason behind the outstanding photocatalytic efficiency of the Li/P-g-C3N4.
The Li and P co-doping into the g-C3N4 monolayer has narrowed the bandgap, increased the visible
light absorption, and improved the electron-hole (e-/h+) pair separation and migration, thereby boosting
the photocatalytic performance. DFT calculation has also confirmed that Li and P co-doping into the g-
C3N4 monolayer narrowed the bandgap, increased the photogenerated e-/h+ delocalization, and
increased the charge transfer rate. The present study proves the potential of Li/P-g-C3N4 nanosheets to
eradicate recalcitrant contaminants for environmental remediation concerns.
KEYNOTE SPEAKER
Dr. Mohit Sharma

Institute of Materials Engineering and Research, ASTAR, Singapore
E-mail: sharmam@imre.a-star.edu.sg
Title: Advanced Composite Technologies: Interfacial Strengthening, Sustainability and

Prospective for Industrial Deployment.
Abstract: Advancement in composite technology is persistently implemented for industrial utilization
e.g., lightweight structural part for aerospace applications. Recently, agencies are promoting usage of
futuristic sustainable materials technologies to address the abrupt climate change and incremental
energy demands. Fiber reinforced polymer composites, characteristically supports lightweight
effectiveness. Continuous fibre reinforced thermoplastics (CFRTP) are strategically preferred due to
their high specific strength, dimensional stability, elevated thermomechanical performance,
recyclability to some extent and molding capabilities to conform intricate structure. Composites
researchers and manufacturers are unceasingly exploring for efficient upscale processing technologies
and innovative deployment methods for lightweight structural applications e.g., electric vehicle (EV)
utilities.
The challenges coupled with composite sustainability are landfill disposal, limited choice of
commercially available bio compatible polymer/reinforcements and lack of recycled technologies to
reused composites at end-of-life. Few allied R&D initiatives are consistently implemented to overcome

the issues. For example, by utilizing thermoplastic-based composites manufacturing process, tailored
fiber placement, utilization of innovative recycling techniques and compelling designs. The
presentation will highlight the user inspired basic research related to polymer composites interface
strengthening, structural health monitoring, nanomechanical analyses. The subsequent section will
include case studies on the strategic translational technologies demonstrated in liaisons with industry
for capability up-gradation. Later section will emphasis on challenges related to the deployment of
CFRTP manufacturing for industrial usage.
KEYNOTE SPEAKER
Prof. Gandham Phanikumar

Indian Institute of Technology Madras, India
E-mail: gphani@iitm.ac.in
Title: Parametric space mapping for microstructure prediction in ICME
Abstract: Realizing the Integrated Computational Materials Engineering approach for an engineered
product through manufacturing processes (such as Additive Manufacturing or Welding or Casting)
involves integration of models across length scales. Microstructure prediction is seen as a bottleneck in
this integration due to the computational complexity, limited tools with sufficient flexibility and
inclusion of multiphysics. As a step towards easing this bottleneck, an approach is proposed where one
extracts the most influential process conditions from the process models and maps them over to the
physical locations of the sample. Microstructure predictions can then be for critical locations in the
parametric space, be prepared as modules for different classes of alloys / contexts and are reusable. In
the emergence of ML, this approach could potentially evolve to support ICME platforms and the
integration effort. A cloud-based possibility for such an effort will be discussed considering the current
state of technology.
KEYNOTE SPEAKER
Prof. Yogendra Kumar Mishra

Professor WSR, Mads Clausen Institute, NanoSYD, Smart Materials University of
Southern Denmark, Alsion 2, 6400, Sønderborg, DENMARK
E-mail: mishra@mci.sdu.dk
Title: Tetrapods based Smart Materials for Advanced Technologies

Abstract: Considering the size dependent utilization complexities of nanoscopic dimensions towards
real applications, the focus of nanomaterials community is merging to three-dimensional (3D) form of
materials which are built out interconnected nanostructures. This talk will briefly introduce the
importance of complex shaped nanostructures towards smart 3D nanomaterials structuring. A simple
flame based single step approach was developed for synthesizing zinc oxide tetrapods which
demonstrated many applications in different technologies. These tetrapods have been used as building
blocks to construct highly porous interconnected 3D nanonetworks in form of flexible ceramics which
offer further new application avenues. Additionally, these 3D networks have been utilized as sacrificial
templates to develop hollow tetrapodal 3D networks from almost any desired material, carbons, nitrides,
oxides, polymers, hydrogels, etc. The sacrificial template-based strategy offers new and unique

opportunities in the direction of 3D nanomaterials engineering and accordingly advanced technological

applications. Some examples of 3D nanomaterials engineering will be demonstrated along with their
applications. The scopes of 3D nano structuring based smart materials in sensing, electronics,
optoelectronics, energy, and biomedical engineering will be briefly highlighted in the talk.

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INVITED TALKS
INVITED SPEAKER
Dr. Manoj K. Tiwari

Accelerator Physics and Synchrotrons Utilisation Division, Raja Ramanna Centre for
Advanced Technology, Indore-452013, India
Homi Bhabha National Institute, Anusaktinagar, Mumbai -400094, India
E-mail: mktiwari@rrcat.gov.in
Title: X-ray Fluorescence Spectroscopy in Materials Science
Abstract: X-Ray fluorescence (XRF) spectrometry is a powerful non-destructive technique for
elemental analysis of materials at the micro and trace levels. The availability of synchrotron radiation
sources has resulted n many interesting applications of XRF such as X-ray fluorescence microscopy,
micro-tomography, con-focal x-ray fluorescence microscopy for evaluating the 3-dimensional
distribution of elements in a specimen etc. Today, synchrotron based XRF has become a widely utilized
technique at many synchrotron facilities around the word. In addition to elemental analysis, the
requirements of precise nondestructive depth profiling and micro-structural parameter evaluation of
thin layered materials have been a focus of interest in many technological applications viz, impurity
distribution in magnetic thin layered materials, characterization of impurity doping in semiconductor
materials, investigation of nano-particles, graphene-based integrated circuit technologies, etc.
In the present talk, various salient features of a microfocus XRF beamline (BL-16), developed on the
Indus-2 synchrotron facility, will be described along with its potential applications in the field of
materials science and engineering. Numerous key advantages of XRF based advanced methodologies
used for investigation of nano-structured materials will also be outlined.
INVITED SPEAKER
Prof. Ashish Kumar Mishra

School of Materials Science and Technology, Indian Institute of Technology (BHU),
Varanasi
E-mail: akmishra.mst@iitbhu.ac.in
Title: Transition Metal Dichalcogenides as Efficient Electrocatalysts for environmentally
Friendly Rechargeable Zinc Air Battery
Abstract: In view of the increasing energy consumption in the current world, advanced sustainable
energy solutions are vital as alternatives to conventional fossil fuels. Scientific community has shown
great interest in different rechargeable battery systems like different metal-ion and metal-air batteries.
The metal-air batteries are seen as next generation devices having high energy density, cost-
effectiveness, excellent safety, and environmental friendliness. Among metal-air batteries, zinc air
battery is considered as an appealing alternative due to its expected high energy density (theoretical
value~1353 W h kg-1). Efficient electrocatalysts are needed to develop eco-friendly rechargeable zinc
air batteries for renewable energy storage. Here, we focus on our recent finding of MoSe2 nanosheets
as an efficient electrocatalyst, synthesized via hydrothermal technique. We investigate electrocatalytic
activity of MoSe2, nanosheets by performing oxygen evolution reaction (OER). The MoSe2 shows good
electrocatalytic activity nanostructure (η10~ 391 mV and Tafel’s slope~ 78 mV decade-1) in OER study,
performed in 1 M KOH at scan rate of 2 mV s-1. The excellent electrocatalytic activity can be associated

with high electrochemical active surface area and possibly due to the presence of selenium vacancies
and edges of MoSe2. Furthermore, we demonstrate Zinc air battery with MoSe2 electrocatalysts as air
cathode, showing high open circuit potential of 1.2 V, specific capacity of 760 mA h gZn-1 and high
durability for MoSe2 based Zinc air battery.
INVITED SPEAKER
Prof. Harish Kumar

Dept. of Chemistry, School of Basic Sciences, CUH, Mahendergarh-123029.
E-mail: harishkumar@cuh.ac.in
Title: Conducting polymer and reduced graphene oxide-based advanced functional
nanomaterials for novel applications
Abstract: The conducting polymers (CPs) and reduced graphene oxide (rGO) find applications in
hybrid capacitors, photoluminescent devices, photovoltaic cells, super-capacitors, semiconductors,
energy harvesting devices, sensors, transistors, anti-corrosive coating, insulating materials, room
temperature superconductor, etc. Metal oxide (MO) nanoparticles (NPs), rGO, CPs, metal-organic
frameworks (MoFs), hexagonal boron nitrides, covalent organic framework (CoFs), based
nanomaterials are the demand of the twenty-first century. The bottom-up and top-down approaches of
synthesis of nanomaterials like Hummer’s methods, hydrothermal/solvothermal method,
micromechanical exfoliation, ligand assisted approaches, small molecule mediated synthesis, ultrasonic
exfoliation, chemical vapor deposition, etc. We have synthesized, CPs/rGO/MO NPs-based
nanomaterials for novel applications like anticorrosive agent, photocatalytic, antibacterial, adsorbent,
magnetic, and conducting material.
INVITED SPEAKER
Prof. Santosh S Hosmani
Indian Institute of Technology Indore, India
E-mail: sshosmani@iiti.ac.in
Title: Surface Engineering of Steels: Microstructure and Properties
Abstract: Most failures of the engineering components made-up of steel start from the surface due to
fatigue fracture, wear, corrosion, and fretting fatigue. These failures and the concerned surface
properties are very much dependent on the microstructure and properties of the steel’s surface. The
combination of bulk and surface properties of stainless steel is always expected for various engineering
and biomedical applications. Such issues are addressed in the last several years by various innovative
approaches, for example, modifying the microstructures to the nanoscale, heterogeneous
nanostructures, the synthesis of gradient-structured layers, etc. Surface mechanical attrition treatment
(SMAT) is a novel technique in the surface nanostructuring processes. SMAT deforms the metal surface
severely at a high strain rate (103-105), resulting in a gradient-structured surface layer with a thickness
of hundreds of microns. SMAT parameters have important role on microstructure and properties of
steels. SMATed austenitic stainless steel (ASS) shows better corrosion resistance than the non-SMATed
specimens. Nitriding kinetics of the SMATed and non-SMATed ASS depend on the duration of

chemical etching/cleaning (prior to the nitriding process) and the stability of the passive layer. The
longer duration of the chemical etching and lower stability of the passive layer are useful factors in
obtaining a thicker nitrided layer. SMAT enhances the boronizing kinetics of steels, and it also improves
the performance of polymer-based coatings, especially, under tribological conditions. Low-temperature
surface alloying of stainless steel is a useful technology in achieving the best combination of high
hardness (so, expected to have good wear resistance), fatigue resistance, and corrosion resistance.
INVITED SPEAKER
Dr. Jeotikanta Mohapatra

Department of Physics, The University of Texas at Arlington, Arlington, Texas,
United States
E-mail: jeotikanta.mohapatra@uta.edu
Title: Coercivity limits in nanoscale ferromagnets: Brown’s paradox revisited
Abstract: Brown's theorem on coercivity of ferromagnetic materials has predicted that the coercivity
level is substantially higher than in practice for all the materials studied in experiments in the past seven
decades, which is known as Brown's paradox. In this work, a coercivity close to that predicted by
Brown's theorem is obtained. It is found that the aspect ratio and diameter of the nanocrystals have a
strong effect on the coercivity. When the nanocrystals have an increased aspect ratio, the coercivity is
significantly higher than the magneto crystalline anisotropy field of hcp Co crystal. An analysis based
on the current experimental results and related literature3,4 reveals a coercivity ceiling in consideration
of geometrical dimensions and effective magnetic anisotropy. In addition, this study provides a
quantitative correlation between the structure and coercivity, paving the way for future materials design
of advanced permanent magnets.
INVITED SPEAKER
Dr. Payal Saxena

Government College of Dentistry, Indore, India
E-mail: payal.endo@gmail.com
Title: Biomimetic Materials in Dentistry: Current Status & Future Aspects
Abstract: This talk focuses on designing of biomimetic materials that simulate physical and mechanical
properties of the natural tooth structure. Biomimetic materials holds the potential to introduce and
change the existing treatment modalities for many dental diseases. However, it requires sturdier
multidisciplinary scientific and technical research to solve practical clinical problems. This definitely
needs the interaction of clinicians with the researchers from various fields of engineering, material
sciences etc. Basic understanding of desired properties of biomimetic materials (such as colour,
morphology, and strength) as well as knowledge of biomaterial–tissue interaction at the nano and
microscale is must to mimic natural teeth. Along with this, the tissue-engineering approaches resulting
in regeneration of lost or damaged dental tissues replacing their natural counterpart is an emerging area
that needs persistent discussions amongst researchers and clinicians. Biomimetic materials ensures
excellent biocompatibility, better prognosis and high success rate. Their scope is enormous in near

future. The materials and treatment modalities used currently, the associated practical problems, pros
& cons, and the desired properties of future materials will be discussed in detail.
INVITED SPEAKER
Prof. Vivek K. Yadav

Assistant Professor, Department of Chemistry, University of Allahabad, Prayagraj,
UP India 211002
E-mail: vkyadav@allduniv.ac.in
Title: Novel two-dimensional thin films efficient for energy and environment
applications: A Density Functional Theory (DFT) study
Abstract: In the current work, we employed the density function theory (DFT) approach to design the
computational strategy for a low-cost 2D material for robust hydrogen evolution reaction (HER) and to
capture flue gas (mainly CO2) from the environment. Recent advancements in computational methods
paved the way for investigating complex systems' microscopic and bulk properties.
We intend to apply our goal from an interdisciplinary approach from quantum mechanical simulation
and will correlate it with the data sciences mediated AI/ML results. We are primarily interested in low-
cost carbon-based materials similar to graphene, h-BN, etc. The Quantum Espresso simulation packages
were used for all the calculations.
INVITED SPEAKER
Prof. Ajit K Patra

Department of Physics, Central University of Rajasthan, NH-8, Bandarsindri, Dist-
Ajmer Rajasthan-305817
E-mail: a.patra@curaj.ac.in
Title: Magnetic ground state of geometrically frustrated Mn2-xFe1+xAl Heusler alloys
Abstract: Heusler alloys with a general formula X2YZ (X and Y: transition metals, Z: main group
element) have become a topic of tremendous interest in recent times primarily due to their diverse range
of physical properties that are tunable using different constituents and annealing conditions. This
tenability makes them highly competitive candidates for applications in various fields, including
spintronics. Among the large family of Heusler alloys, Mn-based ones are especially intriguing because
of their complex physical properties and abundance. Many recent studies are focused on such a class of
Heusler alloys to explore the magnetic ground state of novel Mn-based Heusler alloys. A systematic
investigation of electronic, structural, and magnetic properties of Mn2-xFe1+xAl (x=0, 0.5) Heusler alloys
is carried out, both theoretically and experimentally, to understand the magnetic ground state.
Previously, L21 (regular) and X (inverse) Heusler structures have been reported for Mn2FeAl Heusler
alloy. However, the present electronic structure calculations propose a more stable β-Mn crystal
structure which is in excellent agreement with the obtained experimental results. Polycrystalline ingots
with a β-Mn structure are prepared by arc melting technique using high-purity elements for
experimental study. Detailed magnetic analysis suggests a geometrically frustrated system with a spin
glass feature. A sharp peak appears in the zero-field-cooled magnetization curves at low temperatures
(T = 42 K for x = 0.0 and T = 34.5 K for x = 0.5). This peak behavior signifies strong antiferromagnetic

correlations with a high degree of frustration, indicating the presence of competing magnetic
interactions. The complex magnetic structure of the β-Mn with a high degree of frustration and
competing magnetic interactions leads to a spin glass state in these alloys. The characteristics signatures
of spin glass behavior are verified from frequency-dependent AC susceptibility study using the Critical
Power Law and Vogel Fulcher Law, magnetic relaxation, and magnetic memory effect.
INVITED SPEAKER
Dr. Alok Kumar Rai

Department of Chemistry, University of Delhi, Delhi 110007, INDIA
E-mail: akrai@chemistry.du.ac.in
Title: Morphology dependent behaviour of δ-MnO2 cathode for aqueous zinc ion
batteries
Abstract: Rechargeable aqueous zinc ion batteries are promising alternative for grid-scale energy
storage applications, owning to their advantages of high safety, low cost, and environmental benignity.
Since Manganese oxide (MnO2) is found to be one of the most efficient intercalation cathode materials
for ZIBs, the layered type δ-MnO2 polymorph exhibits reversible intercalation/de-intercalation of Zn2+
ions with high capacity. Herein, we have synthesised δ-MnO2 with various morphologies using different
synthesis methods followed by their testing as cathode materials for ZIBs. It was noticed that the
electrochemical performance of δ-MnO2 is highly influenced by its morphology. Especially, the
nanospheres and pom-pom shaped flower-like morphology showed huge differences in their cathode
capacity. More importantly, the obtained results revealed that δ-MnO2 nanosphere electrode retained
good capacity till 1000 cycles, whereas pom-pom shaped flower like δ-MnO2 electrode collapsed after
250 cycles only, which can be explained on the basis of morphology durability. In addition, the
electrochemical and structural investigation indicates that a two-step co-insertion of H+ and Zn2+ ions
into the interlayer of δ-MnO2 takes place during discharge process for both the electrodes. The superior
electrochemical performances of δ-MnO2 cathode paves a way for high capacity and long lifespan of
zinc-ion batteries.

INVITED SPEAKER
Dr. Upendra Awasthi

Korea Institute of Ceramic Engineering and Technology, South Korea
E-mail: upendraawasthi88@gmail.com
Title: Bandgap analysis of transition-metal dichalcogenide and oxide via machine
learning approach
Abstract: Predicting bandgap is a crucial topic in materials informatics, however, it is still difficult
when the available dataset is limited and unbalanced. Here, we applied a machine learning approach to
construct a prediction model for transition metal dichalcogenides and oxides. Using an oversampling
technique and atomistic feature engineering, we successfully constructed the machine learning model
and analyzed the correlation with other physical properties. Furthermore, we also utilized the model to
obtain a compressive sensing model based on physical quantities for analytic interpretation and quick
prediction.
INVITED SPEAKER
Dr. Sachin Gupta

Bennett University (Times of India Group), Greater Noida 201310, India
E-mail: sachin.gupta@bennett.edu.in
Title: Ultra-low Schottky barrier height in single layer MoS2 with PMA electrodes
Abstract: Decoupling spin degree of freedom (DoF) from charge DoF has led several inventions in
spintronics. In analogy to spintronics, valleytronics exploits valley DoF, which can be used to store and
carry information. Due to time-reversal symmetry and inversion asymmetry, two-dimensional transition
metal dichalcogenides (TMDs) have multiple valleys in the electronic band structure of hexagonal
Brillouin zone and these valley DoFs are intrinsically coupled with electron’s spin, allowing dynamic
control. MoS2 has gained special attention in the class of two-dimensional materials because of its
semiconducting nature and large spin-orbit coupling. In this study, we fabricate a monolayer MoS2
field-effect transistor with PMA electrodes and calculate Schottky barrier heights (SBHs) in these FET
devices.
The monolayer MoS2 is grown on the thermally oxidized SiO2/n+Si substrate with SiO2 thickness of
~285 nm via halide-assisted CVD technique. For PMA, electrodes, we sputtered Co/Pt with stack
structure Si/SiO2/(Co0.5nm/Pt3.8nm)2 at room temperature. After confirming PMA, we used Co/Pt
multilayers as electrodes in FET devices. Two-probe I-V curve measurements as a function of
temperature and back gate voltage (Vg) were carried out to determine SBHs in these MoS2-FET devices.
The SBH at zero gate voltage was estimated to be 10.5 meV, which shows ultra-low SBH. To calculate,
flat band SBH, we measured Vg dependence of SBH. The deviation from the linearity regime in Vg
dependence gives the flat band SBH of 9.6 meV. This supports our claim that SBH calculated at zero
Vg is in the thermionic regime. The PMA electrodes with small SBH can pave a path towards high
efficiency devices for large scale applications.

INVITED SPEAKER
Prof. Parasharam M. Shirage

Discipline of Metallurgy Engineering and Materials Science, Indian Institute of
Technology Indore-452553.
E-mail: pmshirage@iiti.ac.in
Title: 2D Metal Oxide Materials for Multifunctional Applications

Abstract: 2D functional metal oxide hybrid nanostructures combine the favourable properties of the
constituent materials for achieving multifunctionality. Functional metal oxide nanostructures and nano-
hybrids have attracted significant attention for diverse applications, i.e. energy storage, mechanical
energy harvesting, chemical sensing and other applications. The present talk is concerned with the
engineering of the properties of the functional metal oxide nanostructures and nanocomposite prepared
by the facile wet chemical method, hydrothermal and thermal decomposition method for supercapacitor,
nanogenerators, gas sensing, and room temperature magnetic applications. With the development of the
modern economy, faster and higher energy storage systems are essential for several applications.
Supercapacitors are the best candidates for providing the necessary high power and long durability
needed for new energy devices for uninterrupted power supply. WOx, MnO2, Co3O4 nanostructures are
identified as promising materials for energy storage purposes. Further, rGO-Ag/PVDF nanocomposite
was used to realize a mechanical energy harvesting device that could light LEDs, charge capacitors and
harvest bio-mechanical energy. The ability to monitor indoor air quality is realized by studying the gas
and humidity sensing properties of Sr- and Ni- doped ZnO nanostructures. The as fabricated chemical
sensors showed good sensitivity, selectivity and stability towards H2O, CO, CO2, etc. The size and
shape-controlled CoFe2O4 nanoparticles were explored for room temperature magnetic applications.
The excellent magnetic properties indicated the capabilities of CoFe2O4 NPs in permanent magnets for
current technological applications . 2D Materials for biosensor and energy applications will be
discussed. Acknowledgement: PMS thanks to Advanced Functional Materials Research Group for their
hard work and fruitful work. IITI for providing excellent research facility and environment.
INVITED SPEAKER
Prof. Hemen Kumar Kalita

Gauhati University,Gauhati, India
E-mail: hemenkalita@gauhati.ac.in
Title: Graphene derivatives-based sensing, monitoring, and remediation for
environmental application
Abstract; Graphene is a 2-dimensional monolayer sheet of carbon atoms arranged in a hexagonal lattice
structure and has shown tremendous potential for various applications, mainly due to its large surface
area for adsorption of molecules and unique electrical properties such as high carrier mobility and high
signal to noise ratio. Graphene based devices have shown excellent promise in various applications like
field effect devices, memory systems, energy storage, transparent conducting electrodes, high strength
polymer nanocomposites etc. However, because of its zero band gap semi-metallic nature, graphene
has limited use in the field of electronics and optoelectronics. The introduction of a bandgap in graphene
by constraining graphene edges along one (graphene nanoribbons) or both dimensions (graphene
quantum dots) is seen as a way to obviate this problem. In recent times, different graphene derivatives

have taken a center-stage in graphene research since it can render new physical and chemical properties.
Researchers have been putting considerable effort to synthesize graphene based derivatives and
investigating their new properties. At present, the device based applications on different types of
graphene derivatives are also growing at a very large scale. In this talk, I will discuss a few graphene
derivatives that are explored for sensing, monitoring and remediation for environmental applications.
__________________________________________________________________________________
INVITED SPEAKER
Prof. Hitesh Borkar

Department of Physics, National Institute of Technology, Warangal, Telangana State
506004 India
E-mail: bhitesh@nitw.ac.in
Title: Anion out-diffusion resistive switching in heterostructure thin films for memristor
applications
Abstract: Currently, there is an increasing demand for low-cost, large-area and low-power non-volatile
memory devices for commercial applications. In this work, resistive switching phenomenon was
observed in the heterostructures of ZnO and WO3/MoS2 thin films. Thin films of ZnO has transparent
in nature and show asymmetric bipolar resistive switching by anion out-diffusion mechanism. Whereas
the heterostructure of MoS2/WO3 thin film configuration displays reproducible bipolar resistive
switching characteristics (with ION/IOFF ratio 102). Under the illumination of a Xenon light source on
MoS2/WO3 thin films, the resistive switching gets enhanced by 102 order in comparison with dark
conditions. Electrical conduction models such as space charge limited current conduction theory
(SCLC) explain the existing conduction mechanisms. This device exhibits excellent reliability, stable
endurance and high retention rate characteristics. These experimental findings suggest that
heterostructure-based thin films can be used for photoresistive switching and hold considerable promise
for the future of optometrists and optoelectronic applications.
INVITED SPEAKER
Prof. Venkata Satya Siva Srikanth Vadali

School of Engineering Sciences and Technology, University of Hyderabad,
Hyderabad, India
E-mail: vvsssse@uohyd.ac.in
Title: Novel Processing Strategies of Few-Layered Graphene and Its Composites

Abstract: Graphene is touted as an all-purpose material due to its extraordinary properties. However,
processing graphene on a large scale to meet commercial demands is still challenging. Therefore,
researchers have been trying to develop few-layered graphene (FLG) as an alternative candidate in all
applications where graphene is considered the optimal material. FLG is considered owing to the ease
with which it can be produced on a large scale. Not only FLG but various allied materials (such as metal
oxide/FLG and FLG/polymer composites) can also be produced easily, and these materials are useful
in diverse applications. In this context, in-house developed novel processing strategies of FLG and some
of its composites will be discussed. Some of these processes are developed to produce the final materials
at a kg scale.

INVITED SPEAKER
Prof. Rahul M R
Department of Fuel Minerals and Metallurgical Engineering, IIT (ISM) Dhanbad
E-mail: rahulmr@iitism.ac.in
Title: ICME and Machine Learning approach for the accelerated design and
development of advanced materials
Abstract: The design and development of new advanced materials are required for the efficient
utilization of resources and energy. Recently the development of high entropy alloys (HEAs) getting
wider attention due to their remarkable properties. Identifying the optimum composition for HEAs is
challenging due to the availability of large compositional space. Various methods have been proposed
for the accelerated screening of HEAs with the required phases and properties. The simulation-guided
HEA development approach is promising for the accelerated identification and processing of HEAs.
Integrated Computational Materials Engineering (ICME) is getting wider attention for HEA design, and
recently the application of artificial intelligence has shown a remarkable improvement in the accelerated
design of HEAs. The current talk includes few case studies which show the accelerated design and
development of HEAs using a combined ICME and machine learning approach. The phase and
mechanical properties of new HEAs are predicted by the integrated framework.

CONTRIBUTED PAPERS: ABSTRACTS

Materials Synthesis, Processing and Characterization (MSPC)

A comparative study of microstructural behaviour in ex-situ and in-situ TiC/Inconel
625 MMCs deposited by pre-placed laser cladding
Shrey Bhatnagar*, Shantanu Kumar and Suvradip Mullick
School of mechanical sciences, Indian Institute of Technology Bhubaneswar, Bhubaneswar, India
E-mail: sb60@iitbbs.ac.in
Abstract: The study of microstructural evolution to identify various dispersed phases formed in case
of laser cladding of metal matrix composites (MMC) under a broad range of input parameters, is a
practical challenge. Therefore, monitoring the molten pool's thermal history is effective in assessing
microstructural changes. This study focused on pre-placed laser cladding of TiC/Inconel 625 MMC
using ex-situ and in-situ modes of deposition. The decomposition of TiC particles in ex-situ deposition
and the formation of various dispersed phases in in-situ deposition were correlated with the thermal
history of the molten pool captured by an IR-pyrometer. The TiC decomposition behaviour has a
signature in the cooling cycle of the thermal history in terms of a solidification self at a temperature
between 1650-1800oC, which corresponds to the TiC nucleation reaction , and is absent in case of in-
situ deposition. Whereas, another solidification self is observed in case of in-situ deposition at
temperatures between 950-1100°C, which corresponds to the formation of Ti-Ni compound. These
specific signatures and molten pool lifetime are effective in identifying the various microstructures and
phases, irrespective of process parameters. Further, the typical micro-hardness values obtained for both
cases were compared.
Design and Development of Novel Coenzyme-A Capped Silver Nanoparticles with

Third-Order Optical Nonlinearity
Aditya Kurdekar*1,2 Prajal Chettri1 and Rajasimha K1 and Krishna Chaitanya V1
1
FEMTOFAB Lab, Department of Physics, Sri Sathya Sai Institute of Higher Learning, Prasanthinilayam, India
2
OMI labs, Department of Instrumentation and Applied Physics Indian Institute of Science, Bangalore, India
*Corresponding author E-mail: adityakurdek@iisc.ac.in
Abstract: We report the design and synthesis of a novel Co-enzyme A (CoA) capped silver
nanoparticles and the investigation of its third-order optical nonlinearity. To understand the feasibility
of CoA-capped nanoparticles, computational studies were carried out which indicated successful
stabilization of silver nanoparticles when capped with Coenzyme A. The Synthesis of CoA capped
silver nanoparticles was carried out by chemical reduction of silver nitrate by sodium borohydride in
the presence of heat. The appearance of the surface plasmon resonance peak at 429 nm confirms the
formation of silver nanoparticles. TEM, SEM and DLS analysis of silver nanoparticles shows the
formation of spherical-shaped nanoparticles with CoA capping and agglomeration to a variable extent.
Degenerate four-wave mixing studies were carried out to study the third-order nonlinearity of the silver
nanoparticles. The third-order non-linear susceptibilities were measured using the Degenerate Four-
Wave Mixing (DFWM) technique. The CoA-capped silver nanoparticles exhibited a higher non-linear
susceptibility than the traditionally used Borohydride-capped silver nanoparticles. The nanoparticles
are stable, simple, and inexpensive to synthesize, making them potentially useful in various
optoelectronic applications.

Multiferroic effect of 0.1Bi4Ti3O12-0.9BiFeO3 composite in 0-3 connectivity for non-

volatile memory device application
Priyanka, Mitra1; B. Harihara, Venkataraman1*
1
Department of Physics, Birla Institute of Science and Technology-Pilani, Hyderabad, India
E-mail: hari@hyderabad.bits-pilani.ac.in
Abstract: Single-phase multiferroic materials manifest ferroelectric and ferromagnetic properties
simultaneously at room temperature, owing to the co-existence of different ferroic orders. Due to the
limited choice of single-phase multiferroic material in the literature, research has been driven to
fabricate composite materials that combine two or more different functional properties. Among various
types of connectivity in the composite material, the 0-3 class has been considered the easiest to
synthesize in enhancing the physical properties to suit a specific application. In this reported work, 0-3
connectivity 0.1Bi4Ti3O12-0.9BiFeO3 di-phasic composite material has been prepared using a two-step
processing method; calcination by the molten salt synthesis route followed by the conventional solid-
state sintering method. This work embeds bismuth-layered perovskite structured Bi4Ti3O12 (BIT) grains
into the matrix comprising multiferroic BiFeO3 (BFO) phase to attain the combined merits of the
physical properties of both these phases. The structural analysis revealed the co-existence of both
phases, which resembles the nature of the composite material, and this observation has been
corroborated by the FESEM micrographs recorded on these samples. At room temperature, this material
exhibited a higher value of effective dielectric constant (~130 at 105 Hz) mainly due to the presence of
the BIT grains in the BFO matrix of di-phasic composites. A typical ferromagnetic and ferroelectric
behaviour has been observed in the studied di-phasic composites by recording M-H and P-E hysteresis
loops, respectively. In particular, the influence of both phases articulates 0.1Bi4Ti3O12-0.9BiFeO3 di-
phasic composites to be a desirable magnetoelectric material suitable for memory-storage devices.
X-ray based synchrotron study of Cr-doped VO2 thin films

Ashutosh Kumar
Department of Physics, Central University of South Bihar, Gaya 824236, Bihar, India
ashutoshswg007@gmail.com
Abstract: The highly correlated systems like the oxides of vanadium are being deeply investigated in
the past decade. VO2, in particular, is a constant target in the field of material science division because
of its peculiar metal to insulator transition (MIT). This study focuses on the investigation of the
electronic nature of chromium-doped vanadium-dioxide (Cr:VO2) thin films by means of resonant
photoemission spectroscopy (RPES) along with constant initial state (CIS) characterizations of the
valence band spectra (VBS). These characterizations provide a direct evidence of the strong
hybridization in the d-shell between the host and the guest lattice sites. Further, this hybridization plays
a pivotal role in the observed room temperature ferromagnetism (RT-FM) of the sample. The cation
pair formation V5+-Cr3+ is attributed for the ferromagnetic nature via double-exchange interaction and
is consistent by means of increase in the defective state of vanadium (V5+) as the doping is increased.
The oxidation state of dopant is confirmed via X-ray photoemission spectroscopy (XPS) and is ascribed
as Cr3+. Vibrating sample magnetometer (VSM) study clearly exhibited the hysteretic nature of the
sample at 300 K.

Synthesis, structural and dielectric performance of multilayer-structured Nickel

decorated MXene nanocomposites
Ritu Raja, Rajan Singha, Gautam Kumarb , Vikash Kumara , Gajendra Prasad Singh*a
a
Department of Nanoscience and Technology, Central University of Jharkhand, Ranchi-835205, Jharkhand, India
b
Special Centre for Nanoscience, New Mehrauli Road, Jawaharlal Nehru University, New Delhi-110067, India
E-mail: gajendra.singh@cuj.ac.in
Abstract: The Nickel (Ni) decorated Ti3C2Tx (MXene) nanocomposites were synthesized by deploying
a facile and cost effective hydrothermal method at 180°C for 5h using MAX as a precursor material. X-
ray diffraction pattern confirms the formation of Ti3C2Tx and its Ni nanocomposites phase. The
crystallite size of Ti3C2Tx increased from 16 to 20.8 nm after Ni incorporation. The lattice parameters
of Ni (0.5 wt%)- Ti3C2Tx phase was estimated about a = 0.18 nm, b =0.18 nm, c = 2.22 nm, lattice
volume = 0.0623 nm3 and density =3.6× 10-20gm/nm3 compared to a = 0.2791 nm, b = 0.2791, c = 2.12
nm, lattice volume = 0.143012 nm3 and density =1.166×10-20gm/nm3 for Ti3C2Tx. The petal like
morphology of Ni-Ti3C2Tx nanocomposites with petal thickness of about 21.5 nm and pore size of about
43.419 nm was observed. The FTIR spectra of Ti3C2Tx MXene shows the band at 3712 cm-1 , 1632,
532 cm-1, 620 cm-1, 3712 cm-1. The bands of Ni-O, Ti-O2, Ni-OH, Ti-O and Ti-C are observed at 425,
445, 488, 545, and 638 cm-1 respectively. The band gap of MXene was increased from 1.55- 2.43 eV
after Ni doping. The MXene exhibits a high dielectric constant ~41 and an ultralow dielectric loss
~0.028 at 1 kHz (RT).
Mechanical and Tribological Characterization of NiB Coating

Abhishek Soni1, A. Kumaraswamy1*, Praveen Kumar B.2
1
Department of Mechanical Engineering, Defence Institute of Advanced Technology, Pune-411025, India
2
AMT Centre, Armament Research and Development Establishment, Pune-411021, India
E-mail: akswamy@diat.ac.in
Abstract: NiB-coated 4150 steel is one of the prominent candidates for gun barrels used in Small Arms
due to its excellent hardness and wear-resistant properties. Therefore, due to environmental concerns,
it is essential to characterize NiB coating as an alternative to Cr-plating. This work attempts to study
the surface morphology, friction, and wear of NiB coating. FESEM (Field Emission Scanning Electron
Microscope) was used for microstructural characterization of NiB coating. NiB coating has a typical
cauliflower-like surface texture. Surface morphology was observed at the top surface and cross-section
of coated specimen. The pin-on-disk machine was used for the measurement of friction and wear.
Micro-indentations with Vickers indenter were performed to measure hardness on the coating surface.
Vickers hardness was estimated to be 1110 HV at 0.025 kg load. Three readings of indentation were
taken at 0.025 kg load with a dwell time of 10 s. One of the main reasons for the high hardness of NiB
coating is annealing treatment after coating deposition. Due to annealing, NiB precipitates are formed,
which increases the hardness of NiB coating. Thus, it can be concluded that NiB coating may be one of
the best alternatives to Cr-plating.

Development of Composite Membrane for Radioactive Separation

B. C. Nailwal1*, N. Goswami1 , Ritu Parashar1,2 , Nishant Chaudhary2,3 , Soumitra Kar1, 2, A. K. Adak1
1
Desalination & Membrane Technology Division, Bhabha Atomic Research Centre, Trombay,
Mumbai
2
Homi Bhabha National Institute, Mumbai
3
Accelerator & Pulse Power Division, Bhabha Atomic Research Centre, Trombay, Mumbai
*Corresponding Author: bipin@barc.gov.in
Abstract: Membrane technology is being gradually introduced into nuclear energy program for
treatment of low-level radioactive wastes. The main reason is to reduce radioactivity in stream below
discharge limits. A traditional method of treatment of low-level liquid effluent is direct evaporation of
the liquid waste. A major limitation of evaporation is the considerable operating cost. Ultrafiltration
(UF) is capable of removing radioactive particles completely. In this work, zirconia-polysulfone
composite UF membrane was developed and its radiation resistance property was tested in electron
beam (EB) environment at an energy level of 10 MeV. It was found that hydrophilicity of membrane
increased on radiation exposure as the contact angle was found to reduce from 74° to 58°. The Universal
Tensile Machine (UTM) analysis results showed that membrane has sufficient strength (0.2 MPa) after
exposure to a radiation dose of 500 kGy. Pure water permeation studies were also carried out and
membrane flux was found to remain nearly constant at ~200 LMH with exposure to EB radiation. To
examine the effect of radiation on the ion conductivity of membrane, the membranes were tested in
electrochemical setup at 20 A/m2. It was found that V-I characteristics of membrane remains the same
after exposure to EB radiation. The results indicate that this composite membrane can have potential
separation applications in beta radiation environment.
Study on Mechanical and Microstructural Behaviour of Al5052 Hybrid Metal Matrix

Composite Reinforced with AL2O3 and Si3N4 Particles
P. Pavan Venkat1, P. Chinnam Naidu1, L.Y. N. Pavan Kumar1, K. Vivek Babu1, M. Krishna Prasad1,
Dr.M. Venkateswara Rao2
1
Graduate Student, Department of Mechanical Engineering, Bapatla Engineering College, Bapatla, A.P, India.
2
Professor, Department of Mechanical Engineering, Bapatla Engineering College, Bapatla,
Mail ID: mvr2007rao@rediffmail.com
Abstract: Currently aluminium metal matrix hybrid composite (AMMHC) reinforced with Al2O3 and
Si3N4 is getting wide attractiveness in different fields such as aerospace, automobile, and other structural
components due to its high strength to weight ratio, compressive strength, wear resistance and hardness
properties . In the present study, the Al2O3 and Si3N4 powder particles are reinforced in aluminium
matrix with nine different weight fractions to fabricate nine aluminium metal matrix based Al5052-
Al2O3-Si3N4 hybrid composites through stir casting technique. The manufactured composites are further
machined by EDM as per ASTM standards and examined to evaluate mechanical properties such as
tensile strength, percentage of elongation, Impact strength and micro hardness. Microstructural
characterization and phase identification were carried out using standard characterization techniques
such as XRD and SEM Analysis. It is also possible to calculate the dimensions of the unit cells based
on the peak positions obtained from XRD test. The results reveal that the addition of reinforcement
particles in Al5052 matrix substantially increases the mechanical behaviour when compared to base
metal. It was fairly observed that the density of the composites was decreased, and the hardness was
increased with the addition of reinforcement particles.

Structural and Magnetic Properties of Co doped TiO2 Nanoparticles Annealed at

Various Temperatures Studied by Synchrotron-Based X-ray Techniques
A.Kumari1, J. Roy2 and V. R. Singh1, a
1
SpinTec Laboratory, Department of Physics, Central University of South Bihar, Gaya 824236, Bihar, India
2
Department of Chemistry, Central University of South Bihar, Gaya 824236, Bihar, India
E-mail: vijayraj@cusb.ac.in (corresponding author)
Abstract: The current study examines the effect of annealing on the structural and magnetic properties
of Co-doped TiO2 (TCO) nanoparticles. X-ray powder diffractograms of TCO nanoparticle annealed at
400, 600 and 800oC exhibited the monophasic anatase, diphasic (anatase and rutile) and monophasic
rutile structures respectively. XRD based study revealed that the size of the nanoparticles varied in the
range from 11 to 51nm. Soft X-ray magnetic circular dichroism (XMCD) were used for the magnetic
measurements of TCO sample at 300K, the total magnetic moment estimated by XMCD varied in the
range of ~1.3 ± 0.1 - 2.3 ± 0.2 μB/Co. This huge magnetization was first time observed by the TEY
mode which recommend an intrinsic behaviour of ferromagnetism which is associated with the oxygen
vacancy and the doped Co content. The XAS spectra of TCO nano-particles at Ti L2,3 and Co L2,3 -
edge in TEY mode concludes that Co and Ti ions are in 2+ and 4+ valence states, respectively. Cluster
model calculation also confirmed that Co ions are in 2+ valence state with D2h high spin crystal-field
symmetry at surface while random crystal field symmetry in bulk which is well consistent with
experimental data.
Synthesis of Inconel 718 Super alloy using Laser Directed Energy Deposition
Ajay MauryaA, A. KumarA, Surendra Kumar SainiB, C. P. PaulC
A
Department of Mechanical Engineering, National Institute of Technology Patna, Bihar-800005, India
B
Department of Mechanical Engineering, Poornima College of Engineering, Jaipur-302022, Rajasthan, India
C
Laser Additive Manufacturing Lab, RRCAT Indore-452013, Madhya Pradesh, India
E-mail: surendra1feb@gmail.com
Abstract: Laser directed energy deposition (LDED) printing technique possess paramount
characteristics over other techniques. In present research study LDED technique is used to synthesize
the Inconel 718 super alloy. High temperatures withstand components demands Inconel 718 super alloy.
Effect of variant powder feed rate on track geometry is studied.
Ultra-high responsive broad band photodetector using n-Bi2Se3/p-TlBiSe2 TI

heterojunction
Gyanendra Kumar Maurya
Spintronics and Magnetic Materials Laboratory,
Department of Applied Sciences,
Indian Institute of Information Technology Allahabad, Prayagraj 211015 India.
Correspondence: rss2018005@iiita.ac.in
Abstract: A vertically stacked heterojunction of topological insulator materials n-Bi2Se3/p-TlBiSe2 was
successfully fabricated employing thermal evaporation technique. The electrical transport properties
were investigated under dark as well as light illumination in visible to near infrared region with varying
optical power from 2.37µW to 3.78 µW. Our study showed that n-Bi2Se3/p-TlBiSe2 heterojunction
exhibits effective photo detection capabilities with ultra-high photoresponsivity corresponding 600nm
to 1100nm illumination. Maximum response was observed for 700nm at 2.37 µW of optical power.
Further this response was supported by photo luminescence measurement. The generation of photo
induced charge carriers and their transport mechanism is elucidated by posing energy band diagram. As

a riveting narrow band gap material and highly sensitive to incident optical illumination, n-Bi2Se3/p-
TlBiSe2 heterojunction could serve as efficient photonic devices like as optical switches, photodetectors
and optical modulators etc.
Resonance Photoemission Spectroscopic Study of Thermally Evaporated NiTiO3 Thin

Films
S. Jena, N. K. Singh and V. R. Singh *
Department of Physics, Central University of South Bihar, Gaya-824236 (Bihar) India.
* vijayraj@cusb.ac.in
Abstract: The Ilmenite structure was maintained with better crystalline characteristics which were
determined from structural examinations employing X-ray diffraction (XRD) of thermally evaporated
NiTiO3 (NTO) thin films on Si (100) substrates. NiO6 and TiO6 octahedra are arranged in layers that
alternate with each other in the lattice structure of NTO. Atomic Force Microscopy (AFM), which
highlights the structure of the film surface, was used to assess the thin film microstructure and surface
roughness. NTO preferentially absorbs ultraviolet radiation below 360 nm, visible light in the
wavelength range from 420 to 540 nm and above 700 nm. The NTO displays bandgap of 2.17 eV and
exhibits direct bandgap semiconductor. Corresponding to photon energies of 2.7, 2.5 and 1.5 eV, the
NTO shows clear absorbance peaks at 448, 502 and 743 nm, respectively. It is hypothesized that the
peaks of NTO's visible light absorbance result mostly from the charge transfer transitions dàd of Ni
inside its valence band. The films have been further characterized by X-ray Photoemission
Spectroscopy (XPS) and Valence Band Spectroscopy (VBS), with a range of photonic energy resulting
in the phenomenon of Resonance Photo-Emission Spectroscopy (RPES) in accordance to find out the
electronic spectra of NTO which eliminates the possibility of metal clusters in NTO films. The RPES
spectra indicate that the Ti 3d (Ti3+ defect states) and O 2s are strongly hybridized. The magnetic
hysteresis loop demonstrated that the NTO films exhibit superparamagnetic behaviour at 300K. These
characterization techniques help to understand its electronic and magnetic properties, which are
important in photocatalytic devices.
Electronic and Magnetic Properties of FeCr2O4 Nanoparticles by Advanced

Synchrotron Based Soft X-Ray Magnetic Circular Dichroism
Riya Dawn, Abhishek Singh, Vijay Raj Singh*
(Department of Physics, Central University of South Bihar, Gaya-824236, India)
E-mail: vijayraj@cusb.ac.in
Abstract: Multifunctional materials are now being considered for a variety of technical uses. This study
describes the synthesis of FeCr2O4 nanoparticles (NPs), as well as rigorous structural characterization
and observation of its electronic and magnetic properties. The FeCr2O4 spinel NPs synthesized by the
sol-gel process. The material crystallizes into a cubic form, according to structural analysis based on x-
ray diffraction (XRD). Surface electronic microscope (SEM) images demonstrates a almost spherical
morphology with an average diameter of 10–20 nm. The Vibrating Sample Magnetometer (VSM) was
used to verify the total magnetization of FeCr2O4 NPs. To study the electronic and magnetic response
of Fe and Cr ions, synchrotron-based element specific x-ray absorption spectroscopy (XAS) and x-ray
magnetic circular dichorism (XMCD) measurements of FeCr2O4 NPs have been carried out at Fe and
Cr L2,3 edges. The Fe 3d states have a high degree of hybridization with the O 2p states. The Fe and Cr
2p XMCD analysis shows antiparallel alignment of Cr and Fe spins. Our findings suggest that the Fe
ions have a large orbital magnetic moment at ~ 300K. The genesis of large orbital magnetic moment n
FeCr2O4 NPs based on the experimental findings offers atomically control over the spintronic devices.

Synthesis and Characterization of Ti3AlC2 MAX Phase

Durgabatee Rout
Department of Physics, Indian Institute of Technology Jodhpur, Rajasthan,India
*rout.1@iitj.ac.in
Abstract: MAX Phases are the family of layered ternary carbides and nitrides with the general formula
Mn+1AXn. Ti3AlC2 is one of the MAX Phases with the combination of both metallic and ceramic
properties. Though it has so many excellent properties, it is difficult to synthesize pure Ti3AlC2 MAX
Phase. We have synthesized Ti3AlC2 MAX phase using Mechanically Activated Self-Propagating high-
temperature synthesis method(MASHS). Initially, the commercially available pure Ti, pure Al and
carbon black powders were taken in a molar ratio of 3:1.2:2.The precursor was mechanically activated
in a planetary ball mill using 5mm diameter stainless steel balls with a ball to powder ratio of 10:1. The
powder was ball milled for 1 hour at 250 rpm. Thereafter, the mixture was heated up to 2000C and hold
at this temperature for 30min then ignition of the sample was held to complete the SHS process. XRD
result of the powder indicates the hexagonal structure of the MAX phase, with a crystallite size 22.23
nm. FESEM photographs of the synthesized powder show the steps like morphology of the powder.
Electrical measurement of the powder was performed using Four-probe technique, and it was found
electrical resistivity of the powder is 2.028µΩ.m.
High Strain Rate Electro-Explosive Clinching Process

Ummed singh, Aashish, Rajak
(Department of mechanical engineering, IIT Indore, Indore, India)
E-mail: phd2201103006@iiti.ac.in
Abstract: In the conventional clinching process, two sheets are interlocked using a punch and die. The
clinching process is the most widely used process in the metal joining industry for achieving the
required strength without any formation of intermetallic. In this manuscript, work has been carried out
on the high strain rate metal clinching process. High strain rate is a process where strain rate varies from
103 – 105 S-1. For a high strain rate, electro-explosive equipment is used for joining AA 1100 to LCS.
A novel method is carried out for the first time using this process. Experiments are carried out at various
discharge voltages to find the most suitable voltage taking into consideration of mechanical strength as
one of the parameters. This research work will demonstrate the feasibility of the clinching process using
the electro explosive high strain process.
A Brief Overview of Magnetic Metal – Carbon Nanocomposites

Dhruv Deshwal*a, Ayush Owhala, Ajay D. Pingalea, Sachin U. Belgamwara
a
Department of Mechanical Engineering, Birla Institute of Technology and Science, Pilani,
Rajasthan 333031, India
E-mail: dhruvdeshwal17@gmail.com
Abstract: Metal–carbon nanomaterials and nanocomposites are advanced materials that can fulfill
modern technologies challenges. In magnetic metal-carbon nanocomposites, the carbon allotropes and
metals can interchange as nanofiller and binding matrix. One of the primary concerns with magnetic
materials is their structural, thermal, and chemical stability. The composition, temperature, and
fabrication method of metal-carbon nanomaterials are the significant factors that can influence their
performance. The carbon allotropes such as graphene, CNT, and fullerene can be nanofillers for a
metallic magnetic matrix to improve their overall performance. In addition, the magnetic monometallic
(Fe, Co, Ni) and bimetallic (Fe–Co, Fe–Ni, Fe–Cu, Co–Cu, and Co-Ni alloys) nanofillers with carbon

matrix can also be a combination for metal-carbon nanocomposites. Among these combinations, the
carbon allotropes reinforcement in the metal matrix attracts researchers due to its low-cost, facile, and
industrially scalability with excellent tribo-mechanical strength, high thermo-electrical properties, and
adequate corrosion resistance. These materials are used in applications such as hydrogen fuel cells,
microelectronic, bio-medical devices and implants, solid lubricants, catalysts, etc. This review article
discusses the fabrication method, reinforcement patterns, compositions, magnetic properties of metal-
carbon nanocomposites, and future applications.
High Aspect Ratio Silver nanowire Synthesis by Modified Polyol Method

Neethu Thomas, Jhansi Kokkiligadda, and Parasuraman Swaminathan
Electronic Materials and Thin Films Lab, Dept. of Metallurgical and Materials Engineering,
Indian Institute of Technology Madras, Chennai, India
Abstract: Metal nanowire-based conducting networks, primarily silver nanowires (Ag NWs), show
promise for both optoelectronic and wearable electronics applications. The synthesis of high aspect
ratio thin Ag NWs is the key to accomplishing high performance in these networks. Among the various
synthesis techniques available, the one-pot polyol method is widely used. It is based on the reduction
of silver nitrate (AgNO3) in the presence of poly(vinylpyrrolidone) and ferric chloride (FeCl3). In this
work, we present a systematic study of the effect of the molecular weight (MW) of PVP, reaction
temperature, the concentration of FeCl3, binary mixture of PVP of two different MWs, and the PVP to
silver salt molar ratio on the physical dimensions (length, diameter, and aspect ratio) of the Ag NWs.
The synthesized samples are purified and analyzed by scanning electron microscopy (SEM) and
statistical analysis of the NWs is carried out to obtain the average and standard deviation. Since the
optoelectronic properties of the NW-based networks are dependent on these dimensions, the present
work can also be used as a significant guide for tuning these properties by changing the dimensions.
Bimetallic Copper based MOF for the Sensitive Electrochemical Detection of

Ciprofloxacin
Varsha M V
Department of Chemistry, Indian Institute of Space Science and Technology, Thiruvananthapuram, India
E-mail: varshamv11@gmail.com
Abstract: This work highlights the formation of a ruthenium doped Cu-MOF (Ru-Cu-MOF)
synthesised by a facile ultrasonic treatment at room temperature and its application as a sensing
platform. The morphology and structural features of the material were investigated using scanning
electron microscopy, powder X-ray diffraction, infrared spectroscopy and x-ray photoelectron
spectroscopy respectively. The synergistic effect arising from the combination of porous structure of
MOF and higher electrical conductivity from the introduction of ruthenium metal makes the composite
a promising electrode material for sensing applications. The prepared composite, Ru-Cu-TMA, was
employed for the highly sensitive electrochemical detection of ciprofloxacin, a broad-spectrum
antibiotic. The electrochemical behaviour of the modified electrodes and the electrochemical sensing
performance of Ru-Cu-TMA were evaluated. The increased number of active sites generated by
ruthenium doping in MOF significantly enhances the sensing ability of Ru-Cu-TMA. The
electrocatalytic oxidation of ciprofloxacin is confirmed as a diffusion-controlled irreversible process.
The proposed sensor exhibited a wide linear concentration range with the lowest detection limit of 3.29
nM and sensitivity 0.0524 µA/µM. Further, the sensor shows superior selectivity, satisfactory stability
and repeatability for ciprofloxacin sensing.

Characterization of Cu-BaAl2O4 composite coating deposited by a novel explosive spray

setup
Shahid Hussaina, Nishit Agrawala, Nikhil Attria, Kazi Sabiruddina,
a
Department of Mechanical Engineering, Indian Institute of Technology Indore,
Simrol, Indore, 453552, India
Abstract: Micron-sized copper powder is sprayed on a low carbon steel substrate by controlled burning
of pyrotechnic powder mixture (barium nitrate + aluminium) in the gun barrel of a novel explosive
spray coating set up developed in the laboratory. As a result, a thick Cu-based composite coating is
developed on the pre-treated substrate surface. Phases, microstructure, and elemental composition of
developed coating are analyzed by various characterization techniques such as XRD (X-ray
diffractometer), FESEM (Field-emission scanning electron microscope), and EDS (energy dispersive
spectroscopy), respectively. Vickers microhardness test, stylus profilometer, and scratch test are also
adopted to estimate the hardness, surface roughness, and adhesion strength of the deposited coating.
EDS spectra show the presence of Cu in the composite coating. The features of the thermal spray
coating, namely pores, cracks, fully melted, and partially melted regions, are also observed in the
obtained coating. The XRD pattern indicates the presence of hard phases, such as BaAl2O4, Fe3N, AlN,
etc., in the coating. The inter-diffusion of materials between the coating and the substrate at the interface
zone has resulted in strong coating-substrate adhesion.
Manufacturing eco-friendly fly ash bricks with rice sheath reduce costs and CO2
emissions
Purnendra Kumar Sahu* , Dr. S.D.Patle
Department of Mechanical Engineering, National institute of engineering Raipur-492001
pksahu.phd2019.me@nitrr.ac.in , sdpatle.mech@nitrr.ac.in
Abstract: Agriculture nowadays depends on technology, so agriculture waste is not utilized and it
pollutes the environment. Its waste is used in some building materials, which helps to reduce the cost
of manufacturing and CO2 emissions. This paper deals with the manufacturing of fly ash bricks
with mixing of rice sheath. In its local area (Chhattisgarh), waste used in fly ash bricks is thermally
comfortable and eco-friendly. Costs are also reducing, and CO2 emissions are also reducing. This type
of brick material helps to reduce environmental pollution. All the comparative testing and experiments
done for this manufacturing and data comparing the best mixing portion for brick material.
Highly sensitive few-layer MoS2 nanosheets as a stable soil moisture and humidity
sensor
Mohd Salman Siddiquia, Anuprava Mandala , Hemen Kalitab, M. Aslam*a
a
Department of Physics, Indian Institute of Technology, Bombay, India
b
Department of Physics, Gauhati University, Guwahati, India
E-mail: m.aslam@iitb.ac.in
Abstract: In this work, an ultrasensitive humidity and soil moisture sensor has been developed using
exfoliated MoS2 nanosheets as a sensing film in combination with the interdigitated electrode
configuration. The performance of the sensor was examined at room temperature with respect to
different relative humidity levels (RH) and soil water content (θg). A variation from 35 pF to 15200
pF capacitance were obtained when relative humidity levels changes between 11% and 96% at room
temperature. The response and recovery times of the sensor were approximately 30 s and 40 s,
respectively. Soil sensing properties were investigated in a detection range from dry soil to saturation

level for two different type of soil (black and red soil) samples. The capacitance of the MoS2 based
sensor increases monotonically when the soil moisture content increased from 3.6-53% and 2.3-45%
for black and red soil, respectively. The observed variation in capacitance corresponding to 53% θg
black soil and 45% θg red soil is approximately 250 and 200 times of that observed for respective dry
soil samples. The soil sensing results shows unprecedented response, long-term stability and good
reproducibility. The device features low cost, stable performance with high accuracy.
Effect of Zn addition on the structure and mechanical properties of Mg-3Ca alloy foams
Akshay Devikar*, G.S. Vinod Kumar
Department of Mechanical Engineering, SRM University – AP, Mangalagiri, India
E-mail: askya333@gmail.com
Abstract: Magnesium is the lightest of all elements and has potential structural and biomedical
applications. However, due to its high oxygen affinity and uncontrollable flammability, the liquid
processing of Mg in open atmosphere is highly dangerous. In this regard, our study focuses on liquid
processing of Mg-Zn-Ca alloys in ambient conditions for foam production. Ca is added to improve the
oxidation resistance, whereas, Zn is added to improve the fluidity and strength of the foams. CaCO3 is
used as a blowing agent for foaming. Mg-Ca foam macrostructure exhibits large gas accumulations and
uneven distribution of pores. With Zn addition, the foam macrostructure significantly improved with
uniform pore distribution and increased no. of circular pores. The foam density as low as 0.40 g/cm3
and porosity of 78 % was recorded. The quasi-static compression testing of foams also revealed increase
in the specific compressive stress (σp/ρf) from 7.61 to 10.51 kPa-m3/kg and the specific energy
absorption capacity (W/ρf, up to 60 % strain) increased from 3.92 to 4.59 kJ/kg. The brittle behaviour
exhibited by Mg foams in terms of serrations in the compression curves reduced after Zn addition, thus
implying improved ductility during plastic deformation.
Addition of La2O3 content in the W-Ni-Cu Heavy Alloy processed through the Powder
Metallurgy route
Navindra Shekhar Shakunt*, Anish Upadhyaya, Gouthama
Department of Materials Science and Engineering,
Indian Institute of Technology Kanpur, U.P. (India)-208016
E-mail: navindra@iitk.ac.in
Abstract: Tungsten heavy alloy was developed in the 1930s for defense applications. It was
characterized that such alloys are the pseudo-class of alloys that contain 88-98 % of tungsten, and the
rest is the binder. Most binders used in WHAs are Ni, Cu, Fe, Co, etc. From a Microstructural point of
view, BCC tungsten particles are embedded in the FCC ductile matrix and form an alloy called Tungsten
Heavy Alloys. Due to its high density and strength at elevated temperatures, WHA is the best candidate
for application in the military, nuclear, aerospace, and medical field as well. Oxide dispersion
strengthening (ODS) was employed to alter the microstructure of W-6Ni-4Cu heavy alloy. La2O3 was
added ranging from 0 to 2 wt.% in the W-Ni-Cu alloy. The pre-mixed powder was consolidated at 400
MPa pressure under hydraulic pressure. The green pellet was subjected to sintering at 1400 °C
temperature for 1h under a hydrogen atmosphere in the conventional furnace. It was expected that the
liquid phase sintering occurred in present sintering conditions. As-sintered WHA-La2O3 was
characterized under SEM and observed W particle size was substantially decreased by the addition of
La2O3. In-depth densification behavior was studied in all the compositions. As-sintered optimized WHA
was characterized under TEM as well. The interface between W-W and W-matrix was overserved and

remarked some vital characteristics. Some mechanical properties were explored and found the
relationship between microstructure respect to mechanical properties.
Preparation of rutile nano-titania from micron size anatase titania via combustion
synthesis followed by co-precipitation method
Adarsh Kushwahaa*, S.K. Palb, A. Basua
(aDepartment of Metallurgical and Materials Engineering,
b
Department of Ceramics Engineering, National Institute of Technology Rourkela, 769008, India)
E-mail: adarsh2195kushwaha@gmail.com
Abstract: The most known crystalline polymorphs of titania are anatase, rutile, and brookite, which
exist naturally. Researchers are developing new synthesis routes to develop nano titania to obtain an
increased specific surface area and surface-to-volume ratio for more catalytic activity at lower melting
temperatures, applications in surface coatings, and high-temperature ceramic uses. In the present work,
two techniques have been used, viz. co-precipitation and solution combustion synthesis. Titanium-oxy-
nitrate (TiO(NO3)2) was used as a precursor. The co-precipitation was done at pH 11 with help of liquid
ammonia. For combustion synthesis, citric acid has been used as fuel. As synthesized samples obtained
from both approaches were fired separately at 800ºC, 900ºC, and 1200ºC. Structural changes
comparison of various powder characterizations has been examined through (a) phase identification
with XRD, (b) and particle size analysis by TEM. Results show that obtained particle size is between
80nm to 100 nm, for the co-precipitation method and 50nm to 100nm for the solution combustion
method. It was found that both synthesized powders calcined at 800ºC contain both anatase and rutile
phases. Whereas, at a higher temperature of 1000ºC and 1200ºC, it stabilizes to the pure rutile phase
with both synthesis methods.
Structural, optical and dielectric properties of Pd decorated CdS Nanocomposites

Mukesh Kumar Gurjar, Rajan Singh, Ritu Raj, Gajendra Prasad Singh*
Department of Nanoscience and Technology, Central University of Jharkhand, Ranchi-835 205, Jharkhand
E-mail: gajendra.singh@cuj.ac.in
Abstract: A selective amount (0.5-5.0 wt%) of Palladium (Pd) decorated Cadmium Sulfide (CdS)
nanocomposites synthesized by involving two facile methods. Firstly, the CdS was synthesized by using
chemical precipitation, thereafter; Pd was decorated onto the CdS by using hydrothermal method. XRD
patterns of the CdS-Pd nanocomposites showed the reflection of (111), (200), (220), (311), (331), and
(422) planes which correspond to the CdS. Hardly Pd peaks were detected. Average crystallite sizes of
CdS particles were in the range of 3-13 nm with increasing the Pd amount. The CdS lattice parameters
a = 0.5790 nm yields volume = 0.1941 nm3 and density ρ = 4.94 g/cm3 compare to the bulk values a =
0.5811 nm, volume = 0.1962 nm3 and ρ = 4.89 g/cm3 . Uniform grain morphologies with particles size
close to the crystallite size were observed. Absorption spectra showed the highest charge accumulation
for Pd (1.0 wt%) decorated onto CdS surface with bandgap to be 1.95-2.16 eV. The photoluminescence
revealed the quenching of the charge carrier's recombination. Dielectric studies reveal that both the
dielectric constant and dielectric loss decrease with an increase in frequency. The dielectric
characterization shows the low value of the dielectric constant at higher frequencies.

Effect of Sintering temperature, Time, and Atmosphere on microstructural

behaviour of carbide of High-Speed Steel fabricated by PM route
Sumit Kumar Sahu*, Anish Upadhyaya
Department of Materials science and engineering
Indian Institute of Technology Kanpur, U.P (India), 208016
E-mail Id: sksahu@iitk.ac.in
Abstract: In recent years, high-speed steel has received widespread attention and is predicted to grow
at a CAGR of 7% in the next decade due to its application in various industries. One of the drivers for
this growth is the increasing trend in shifting the processing of HSS from a wrought route to powder
metallurgical processing, which provides better control over tailoring the composition and dimensional
tolerance. Furthermore, recent advances in powder processing and sintering techniques provide a
potential for achieving better microstructural homogeneity and improved properties that include hot
hardness, toughness, and wear resistance. Some specific carbides (mainly MC, M2C, and M6C) are
formed due to large amounts of carbon and alloying elements (W, Mo, V, Cr, Co). Carbide content,
size, type, and morphology, as well as sinter density, are the parameters that have a significant impact
on the mechanical properties of HSS. The formation of MC, M2C, and M6C carbides greatly depends
on the cooling rate and alloy composition. M2C is a metastable carbide which forms due to high Mo
and C content and the rapid cooling rate, which further decomposes during annealing to MC and M6C.
The presence of M2C carbide deteriorates hot workability and toughness.
The present investigations are to attain the homogenous distribution of fine carbide with a close to
spherical shape, which was fabricated through the powder metallurgy process. The influence of
sintering temperature, holding time, and atmosphere on the formation of carbides is explored.
Furthermore, carbide morphology (MC, M2C, and M6C) was observed to vary with composition and
additives.
Structural Characterization of High Entropy Alloy Nanoparticles Synthesized Using

Laser Ablation Technique
Bibek Kumar Singh1, Rajesh Rawat2, Archana Tiwari3, N. Arun4,5, A. P. Pathak5, Yagnesh Shadhangi6,
N.K. Mukhopadhyay6, Srinivasa Rao Nelamarri7, S. Venugopal Rao8, Ajay Tripathi1,*
1
Department of Physics, School of Sciences, Sikkim University, 6th mile Samdur,737102, Sikkim, India
2
Department of Physics, School of Physical Science, SRM University, Sikkim, Tadong, 737102, Sikkim, India
3
Department of Physics, Institute of Science, BHU, Varanasi, 221005, Uttar Pradesh, India
4
Centre of Advanced Studies in Electronics Science and Technology (CASEST), University of Hyderabaad,
Hyderabaad, 500046, Telangana, India
5
School of Physics, University of Hyderabaad, Hyderabaad, 500046, Telangana, India
6
Department of Metallurgical Engineering, IIT BHU, Varanasi, 221005, Uttar Pradesh, India
7
Department of Physics, Malaviya National Institute of Technology, Jaipur, 302017, Rajasthan, India
8
Advanced Centre of Research in High Energy Materials (ACRHEM ), University of Hyderabaad, Hyderabaad,
500046, Telangana, India
E-mail: ajay_t_2000@yahoo.com
Abstract: Al-rich non-equiatomic high entropy alloy nanoparticles (HEA NPs) were synthesized by
ablating Al40(SiCrMnFeNiCu)60 target using nanosecond Nd:YAG pulsed laser operating at 1064 nm
wavelength, with 8 ns pulse duration in deionized water. The NPs obtained maintained the nominal
concentration of the target. The particles were homogeneous and spherical in nature with an average
size of 12 nm. The colloidal solution of NPs was further processed with 532 nm laser and the changes
in the composition and structure was studied using microscopic and spectroscopic techniques. TEM and
FESEM-EDS analyses revealed the bimodal size distribution of the particles (smaller NPs with an
average size of 6 nm and larger NPs with an average size of 120 nm) and dominance of Cu concentration
in the processed NPs. The elemental overlay revealed formation of various morphologies in the sample,

such as bulged structured NPs, two spherical particles overlaid at the edges of large-sized NPs. The
formation of these structures is attributed to the evolution of Cu concentration, which dictated the
growth mechanism during laser processing in liquid. Based on the experimental results, a possible
growth mechanism of the differently structured NPs is discussed.
Synthesis and Structural Properties of Nickel Selenide Nanoparticles

Shashank Jyoti1, Jaiveer Singh1, *, Jitendra Tripathi1, Anupam Sharma2 and Ashutosh Mishra3
1
Department of Physics, ISR, IPS Academy, Indore, India 452012
2
Department of Physics, Manipal University, Jaipur 303007
3
School of Physics, DAVV Indore, India 452001
E-mail: jaiveer24singh@gmail.com
Abstract. A simple solvothermal technique has been used to synthesize the Nickel Selenide
nanoparticles using Octylamine as a surfactant and NiCl2.6H2O and Selenium powder as precursors. As
prepared nanoparticle sample was characterized by X-ray Diffraction (XRD). The average crystallite
size was observed 16.09 nm with hexagonal closed packed (hcp). Fullprof-suit software was used for
Rietveld refinement. Further, sample was characterized by scanning electron microscopy (SEM) to
study the morphology of nanoparticles and Fourier Transform Infrared Spectroscopy (FT-IR) to study
the interaction of surfactant with the nanoparticles. Considering the proposed application of Transition
metal selenides (TMSs) as the electrode material in electrochemical energy storage devices by several
articles, further study of the electric properties of the synthesized nanoparticels has been planned.
Architecture of TiO2@MXene/B-g-C3N4 heterostructure towards photocatalytic

H2O2 generation through Z-scheme charge dynamics
Bhagyashree Priyadarshini Mishra, and Kulamani Parida*
Centre for Nano Science and Nano Technology, Institute of Technical Education and
Research, Siksha ‘O’ Anusandhan University, Bhubaneswar-751030
*Corresponding Author’s E-mail: kulamaniparida@soa.ac.in
Abstract: Spatial charge separation and migration are the critical shortcomings dominating the core
energy conversion corridors of photocatalytic systems. In this regard, all-solid state Z-scheme
heterojunction systems are drawn enormous interest. Amongst numerous 2D materials, g-C3N4 exhibits
novel visible light harvesting property, suitable band-edge positions and has a facile synthesis method
from cost-effective precursors. However, due to certain shortcomings like insufficient charge
separation, and lower light harvesting capability, foreign atom doping into g-C3N4 crystal lattice have
been adopted. Herein, we have synthesized a Z-scheme heterojunction photocatalyst taking B-g-C3N4
and Ti3C2 MXene derived TiO2 as two counterparts through an electrostatic self-assembly strategy.
MXene served both as the precursor of Ti for growth of TiO2 nanocrystals and as a solid state electron
mediator to facilitate the Z-scheme charge dynamics in the as-synthesized photocatalyst. Specifically,
the MTBCN-12.5 composite provides optimum yield of H2O2 up to 1480.1 µmol h-1 g-1 which is 4 fold
greater than bare BCN. The detailed results on the optimization of photocatalytic H2O2 production, the
structural and electrochemical characterizations will be presented in detail.

Enhanced performance of n-Bi2Se3 /n-Bi2Te2Se heterojunction for highly responsive

photodiode applications
Vidushi Gautam, Roshani Singh, Pramod Kumar
Spintronics and Magnetic Materials Laboratory, Indian Institute of Information Technology,
Allahabad, U.P., India 211015.
Abstract: In recent years heterojunctions of topological insulator materials have sparked a significant
deal of interest because of their unique properties and numerous applications. In the present work, the
high-quality n-Bi2Se3/n-Bi2Te2Se heterojunction device was fabricated by employing the thermal
evaporation technique. The structural properties were examined by XRD and revealed the crystalline
nature of the deposited film. The band-gap of precursor materials were also calculated by UV
absorbance spectra. The obtained value of the band-gap was consistent with the reported values. The
electrical measurement of the device was carried out in the dark and presence of light showed high
electrical conductivity. Further, our study demonstrated that n-Bi2Se3 /n-Bi2Te2Se exhibited ultra-high
responsivity and detectivity under the illumination of 600 nm to 1100 nm peaks at 800nm enabling
efficient photodetection. The Bi2Se3 and Bi2Te2Se thin films exhibited significant photoluminescence.
The optoelectronic performance of this heterojunction is an important step toward the development of
photodetectors and phototransistors.
Effect of Rare Earth Sm substitution on the structural properties of BiFeO3

Prabhav Joshi, Shivendra Tiwari, Jyoti Shukla, Nausheen Noor, Dr. Ashutosh Mishra
(School of Physics, Devi Ahilya Vishwavidyalaya, Indore, India
E-mail: prabhavjoshi31@gmail.com
Abstract: Rare earth Sm doped BFO with 0, 5,10 and 20 percent were prepared using solid state
reaction route method. The effect of Sm substitution on the structural properties of the BFO has been
investigated through XRD. Pure BFO exhibit distorted rhombohedral structure with space group R3c,
confirmed by reitveld refinement analysis of the XRD pattern. Introduction of Sm in the lattice induce
structural change in the rhombohedral phase. An intermediate Orthorhombic (Pna21) bridge phase
appear at 10% doping which then finally evolve to orthorhombic (Pnma) at 20% and more doping.
The rhombohedral, orthorhombic (Pna21) and (Pnma) phase coexist at 10% also termed as
Morphotrophic phase boundary.
Development of novel Al alloy composites based on tungsten-based nanocrystalline

dispersoids
Ipsita Madhu Mita Das*, Animesh Mandal, Srikant Gollapudi
School of Minerals Metallurgical and Materials Engineering,
Indian Institute of Technology Bhubaneswar, India
E-mail: imd10@iitbbs.ac.in
Abstract: Nanocrystalline materials are often produced by nonequilibrium entropy-inducing processes
such as high-energy ball milling. The current study focuses on an initiative to develop unique aluminium
metal matrix composites(Al-MMCs) by incorporating nanostructured tungsten-based dispersoids. The
enhanced thermal stability of the nanostructure tungsten(W) produced by adding 20 at.% titanium(Ti)
to tungsten by the SPEX milling route is well studied in the literature. In the present work,
nanocrystalline tungsten and W-20 at.% Ti powders were prepared by high-energy SPEX milling. For
the fabrication of the composites, two different temperatures(700 °C and 730 °C) were selected to study
the effect of the dispersoids in molten aluminium in an argon environment. The resultant novel

composites with W-20Ti dispersoids showed superior microhardness(551.4 ± 57 HV) compared to that
with elemental tungsten as reinforcement material(292.78 ± 54 HV) in tungsten rich regions. The matrix
hardness also improved from 32.7 ± 3 HV in pure aluminium to 82.5 ± 7 HV in the composites. Al12W
and Al5W were the most prevalent intermetallics formed in all three composites at 700 °C and 730 °C,
respectively. Interestingly, the composites bearing nanocrystalline W-20Ti dispersoids had lower
amount of intermetallics formation due to their enhanced thermal stability. The results obtained from
work will be presented.
Thermal and Electrical Properties of Nanocomposites of Reduced Graphene Oxide

and Silver Nanoparticles
Sweta Gurung1, Nimmala Arun2, Anand P Pathak2, Srinivasa Rao Nelamarri3, Ajay Tripathi1, Archana
Tiwari4, ∗
1
Department of Physics, School of Physical Sciences, Sikkim University, Gangtok, 737102, India
2
School of Physics University of Hyderabad, Hyderabad, 5000046, India
3
Department of Physics, Malaviya National Institute of Technology,Jaipur, 302017, India
4
Department of Physics, Institute of Science, Banaras Hindu University, Varanasi 221005, India
E-mail: archana.tiwari.ox@gmail.com
Abstract: In this work, we report synthesis of nanocomposite of silver nanoparticles with reduced
graphene oxide (Ag-rGO) following one-step, one-pot method where polyvinylpyrrolidone and
ethylene glycol are used as capping and reducing agents. The average particle size of Ag NP has been
reduced by 16-fold after composite formation with rGO. The change in Raman frequency with
increasing temperature and power has been related to increasing phonon anharmonicity, lattice
expansion and has been further used to determine thermal conductivities of rGO and Ag-rGO. To the
best of our knowledge, thermal conductivity for thin films of Ag-rGO nanocomposite is reported here
for the first time. I-V hysteresis loops have been obtained for rGO and Ag-rGO. The presence of Ag
NP, which serves as scattering centres for conducting electrons, causes Ag-rGO to have higher electrical
resistance than rGO. Unlike Ag-rGO, space charges and electrical resistance vary proportionately in
rGO owing to its capacitive behavior with no significant decrease in resistance upon illumination with
532 nm. While Ag-rGO exhibits a considerable reduction in resistance following 532 nm illumination
due to LSPR-mediated charge transfer from Ag NP to rGO surface. Ag-rGO with low thermal
conductivity and photo-tunable electrical conductance, has been synthesised through this study.
Electrical Conduction Mechanism in Mg0.5Ca0.5TiO3:xSm3+ Prepared by Solid State

Reaction Method
Jayashri Mahapatro, *Sadhana Agrawal
Department of Physics, National Institute of Technology Raipur, Raipur, India
Affiliation of the A. Author (Department, Institute, City, Country)
E-mail: sagrawal.phy@nitrr.ac.in
Abstract: Dielectric and electrical properties of undoped and samarium ions (2 mol%) doped
magnesium calcium titanate ceramics, prepared via solid state reaction (SSR) method were investigated
in this work. The frequency dependent dielectric studies were performed in the frequency domain of
100 Hz to 100 KHz. The value of dielectric constant (ε) in the high frequency region is low and shifts
towards higher value in low frequency region. The temperature dependent dielectric studies performed
in the temperature range of room temperature (RT) to 300 ℃. The value of dielectric parameters
increases gradually with temperature. Higher ac conductivity values in the high-frequency range
showed that the synthesized ceramics follow the universal power law. Increasing trend of ε value is
observed with Sm3+ ions substitution.

Ligand-Based and Stimuli-Responsive D10 Coordination Polymers

Dilip Pandey
Abstract: Several Cu(I) coordination polymers (CPs) are known as efficient emissive materials which
provide an efficient, eco-friendly, and cost-effective platform for the development of various functional
materials and sensors. In addition to the metal center, organic ligand also plays a crucial role to control
the emissive nature of coordination polymers. Different functional group present on the ligand or the
presence of the aromatic hydrocarbons provide a platform for various inter and intra-molecular
interactions which significantly affect the luminescent properties of the coordination polymers. Weak
intermolecular and intramolecular interactions also have a significant impact on the luminescent
properties of the CPs.
For this work, first, we have synthesized dithiol-modified triphenyl amine ligands, which itself is
luminescent and show solvatochromic behavior. Next, we explored the coordination behavior of these
ligands with d10 transition metals. Some of the Cu(I) coordination polymers show mechanochromic
behavior which will be explained in the presentation.
Effect of deformation on mechanical properties and lattice parameters in Ti-6Al-4V

through cryo rolling
Vaibhav Gaura,b*, Jatin Agarwalc, Richpal Choudharyc, B. Ravi Kumara,b
a
Engineering Sciences, Academy of Scientific and Innovative Research (AcSIR), Ghaziabad- 201002, India
b
Microstructural Engineering Group, CSIR-National Metallurgical Laboratory, Jamshedpur-831007, India
c
Metallurgical and Materials Engineering, Malaviya National Institute of Technology, Jaipur-302017, India
*444vaibhav619@gmail.com
Abstract: The present study deals with the study of mechanical properties, lattice parameters and
texture analysis under cryo-rolling effect. Ti-6Al-4V sheets had been rolled at sub-zero temperature at
different deformation percentages. Optical Microscope shows equiaxed microstructure at small
deformation percentages which were further transformed to elongated microstructure with increase in
deformation percentage due to rolling effect. Annealing after cryo-rolling leads to the formation of
widmanstätten structure along with equiaxed microstructure. Presence of deformation bands were
observed through SEM. These bands get densified at the condition of high deformation percentage.
With increase in the percentage of rolling deformation, the increasing trend of strength without any
appreciable change in tensile deformation was observed through tensile test. The presence of
orthorhombic phase had been observed through XRD, along with some unidentified peaks which were
predicted as FCC peaks in some previous literatures. Further study of which is required through TEM.
There is little localized variation in lattice parameters without much variation in the overall lattice
parameter of each phase, which shows the presence of undeformed crystals in bulk. For HCP c/a
ratio=1.59, for BCC a=3.32, and for orthorhombic a=3.84, b=2.62 and c=3.62. Annealing after cryo-
rolling shows randomly oriented texture due to the recrystallization process.

Foaming of Mg alloys using dolomite as blowing agent stabilized by in-situ formed

MgAl2O4 particles
Dipak Bhosale1, K. Georgy2,3, Manas Mukherjee2, 3, G. S. Vinod Kumar1*
1
Department of Mechanical Engineering, SRM University-AP, Amaravati, Andhra Pradesh, 522502, India
2
Metal Foams and Porous Materials Lab, Department of Metallurgical and Materials Engineering, Indian Institute
of Technology Madras, Chennai 600036, India
3
Applied Magnesium Research Group - Centre of Excellence in Materials and Manufacturing for Futuristic
Mobility, Indian Institute of Technology Madras, Chennai 600036, India
E-mail: vinodnarasimha@gmail.com
Abstract: Closed cell metal foam is an attractive structural material which exhibits unique combination
of mechanical, physical, thermal and acoustic properties. Magnesium based closed cell foams offers
greater potential in compressibility and energy absorption behavior. In the present work, we tried
foaming of Mg-3wt.%Ca-xAl (x=3, 6 and 9 wt.%) alloy using dolomite [CaMg(CO3)2] as blowing agent
through liquid metal route. Our study mainly focusses on developing the process of foaming Mg
alongside, understanding of the mechanism of foaming. The Mg foams were stabilized by in-situ formed
MgAl2O4 particles. Detailed micro and macro structural analysis are performed for the precursors (Mg
alloys), foams and blowing agent in order to develop an efficient process. Naturally occurring mineral
dolomite [CaMg(CO3)2] is demonstrated to be an effective blowing agent for foaming Mg alloys. The
Mg foams obtained, exhibits good stability and expansion with regular polyhedral shaped pore structure
uniformly distributed in the Mg matrix. Mechanical properties such as compressibility and energy
absorption capacity of prepared foams were also studied.
Microstructure and Mechanical properties of Ni-Al-Co-Cr-Fe-Ti-Ta-Mo-W based high

entropy superalloy
Piyush Kumar1*, Abhijit Ghosh1, Sumanta Samal1
1
Department of Metallurgy Engineering and Materials Science, Indian Institute of Technology Indore, Simrol,
Indore, 453552, Madhya Pradesh, India
* Corresponding author: E-mail: phd1801205011@iiti.ac.in
Abstract: The present analysis, Ni-Al-Co-Cr-Fe-Ti-Ta-Mo-W based high entropy super alloy (HESA),
is developed using the CALPHAD approach. The composition is melted using vacuum arc melting, and
the microstructure and structural characterization is carried out using a scanning electron microscope
(SEM) and X-ray diffraction (XRD) technique. The microstructure of the as-cast HESA consists of
FCC-ordered γ′ and disordered γ phase. Differential scanning calorimetry (DSC) analysis is also carried
out to confirm the existence of predicted phases, and it is found to be consistent with the CALPHAD
prediction. The mechanical response of the alloy at room temperature is examined using microhardness
and tensile test. Hardness is found to be 354±8.6 HV0.2. The yield strength and ultimate tensile strength
are found to be 1021MPa and 1098 MPa respectively. Further an attempt has been made to understand
the failure mechanism by carrying out fractographic study.

Study on the role of Sn addition on the mechanical and corrosion behavior of Mg-Zn-Si
alloy
Gaurav Gupta a*, Sourav Ganguly b, Jayant Jain c, Sudhanshu Shekhar Singh a
a
Department of Materials Science and Engineering, Indian Institute of Technology Kanpur, Kanpur,
Uttar Pradesh - 208016, India
a
*- grvgupta@iitk.ac.in
b
CSIR-Institute of Minerals & Materials Technology (CSIR-IMMT) Bhubaneswar-751013, Odisha, India
c
Department of Materials Science and Engineering, Indian Institute of Technology Delhi, New Delhi, 110016, India
Abstract: Recently, magnesium (Mg) and its alloys have gained interest for biomedical applications,
such as stents, screws, etc. Due to their low weight, high strength-to-weight ratio, good biocompatibility
and biodegradability in body fluids, Mg and its alloys have become a potential candidate for these
applications. Earlier research has demonstrated that combining zinc (Zn), silicon (Si), and Tin (Sn) with
Mg results in biocompatible and biodegradable alloys. Sn is a crucial alloying component, but its impact
on the microstructure and mechanical/functional properties of Mg-Zn-Si alloy has not been largely
explored.
In the current work, processing-structure-properties correlation in Mg-Zn-Si-xSn alloys has been
established. The alloys have been characterized both in their as-cast and wrought states. SEM, XRD,
EBSD and EDS have been used to characterize the microstructure. The mechanical properties have
been measured using Vickers hardness test and compression tests. Additionally, the corrosion behavior
of these alloys has been conducted to determine their biocompatibility and biodegradability. Overall, it
has been found that variation in the Sn content has a considerable impact on both the mechanical and
corrosion properties.

Nanocomposite Materials for Optoelectronics Applications

Parveen Ansari1*, Kamal Kumar Kushwah1, Hussain Jeevakhan2, Saral Kumar Gupta3
Department of Applied Physics. Jabalpur Engineering College, MP, India
Department of Applied Sciences, National Institute of Technical Teacher Training and Research, Bhopal, MP, India
Department of Physical Sciences, Banasthali Vidyapith, Jaipur, Rajasthan, India
*Corresponding author: Parveen Ansari E-mail: parveenansari294@gmail.com
Abstract: Nanocomposite materials are polymeric and multi phasic materials which show at least one
dimension in nano range like nanorods, nanosheets, powdered materials etc. one of the most renowned
materials is graphitic carbon nitride (gC3N4) which is eco-friendly, cost effective, excellent chemical
stability properties high performance photocatalyst. Intense review of literature has been done, it is
concluded that gC3N4 can be in powder as well as thin film form and can be synthesized by various
techniques like pyrolysis, condensation, chemical vapor deposition, hydrothermal process etc. The
XRD studies reveal that it is crystalline in nature with hexagonal structure. Materials show great
optoelectronics properties, here doctor-blade technique is used and it revealed that it has mobility of
2.4*101 cm2 /Vs and exhibits n-type conductivity. This technique is generally used to study photovoltaic
and photoelectric devices, especially large-scale fabrication of perovskite solar, dye sensitized solar cell
and organic field effect transistors. The FTIR measurements showed peak range in between 3000- 3500
cm-1 . The gC3N4 material has wide applications in the field of optoelectronics, energy conversion and
storage. It is mostly used as catalysis, environmental applications, nanoelectronics etc.
Design and Performance Enhancement of High Frequency BAW Resonators

Mahima Ranaa , Meghana Hasamnisa , Rajesh Pandea
a
Department of Electronics Engineering, Shri Ramdeobaba College of Engineering and Management, Nagpur-
440013, India
Abstract: Radio frequency (RF) technologies are gaining importance due to the expanding influence
of the 5G communication. Thin film bulk acoustic wave resonators (FBARs) are widely used as RF
ilters in cell phones. When an electric field is applied between the electrodes, an inverse piezoelectric
effect is observed. Because it encourages the use of low operation voltages and motional resistances,
this actuation method outperforms electrostatic actuation. Thinner piezoelectric layers correspond to
higher resonance frequencies. Furthermore, the shape, type of piezoelectric, and electrode materials all
have a significant impact on the FBAR's performance. Quantifying the fundamental resonance of an
FBAR depends critically on the quality (Q) factor, which represents selectivity, and the
electromechanical coupling coefficient (kt2), which measures the bandwidth for a bandpass filter. As a
result, various piezoelectric and electrode material combinations are used in this study to create various
FBAR shapes while maintaining a fixed resonant frequency of 5.2 GHz. By analyzing the Q factor and
the design's area utilization, it is proposed that the rectangular form is the most efficient shape. Thus,
this paper proposes an FBAR design that can be further integrated into the design of filters and has an
optimal Q factor, kt2, and space utilization.

Bio-polymer Electrolytes Based on Chitosan (CS): Structural, thermal and Ion

transport properties study
Dr. A. L. Saroj
Department of Physics, Institute of Science, BHU, Varanasi, India
E-mail: al.saroj@bhu.ac.in
Abstract: Recently, bio-polymer based solid electrolytes have drawn much attention worldwide due to
their potential applications. Bio-polymers have some unique properties like Chitosan (CS) is a
polysaccharide having glucosamine and N-acetyl glucosamine units different polar functional groups
like NH2 (primary Amine), O-H (Hydroxyl group) and C-O-C (glucosamine/ether) and good film
forming ability. The polymers can easily solvate the dopant materials if it has lone pair electron of the
heteroatom (like nitrogen or oxygen) which plays significant role for interaction between constituents
of polymer with cation/anion of the dopant. The present work deals with the effect of NaI content on
dielectric properties and ion transport mechanism of Chitosan (CS)- ionic liquid (IL) based plasticized
bio-polymer electrolyte (BPE) films. The CS-PEG/IL-NaI based films were prepared using solution
cast method. AC conductivity, dielectric properties, electric modulus analysis and scaling have been
done for understanding the ion transport mechanism for prepared IL based BPBE films. Due to the
interactions between metal ions (Na+) and the functional groups of CS in presence of plasticizer IL/PEG,
studied materials are very useful for device application point of view. For knowing the electrochemical
stability window LSV and CV measurements were carried out. Ionic transference number
measurements have also been done to estimate the nature of ion species responsible for conduction.
Photoelectrochemical water splitting performance of Zn2SnO4 nanorods grown on ZnO

deposited FTO Substrate
Lokanath Mohapatra 1 and Ajay K. Kushwaha 1,2,*
1
Department of Metallurgy Engineering & Materials Science
2
Centre for Advanced Electronics (CAE) Indian Institute of Technology Indore, Simrol, Indore, M.P.-453552, India
* Corresponding Author: akk@iiti.ac.in
Abstract: This work investigates the photoelectrochemical (PEC) water splitting performance of
Zn2SnO4 nanorods. Zn2SnO4 nanorods are grown on the ZnO coated FTO substate by the hydrothermal
process. XRD analysis of grown photoanode confirm the formation of cubic phase Zn2SnO4. The
Investigation of the morphological and compositional properties by SEM and EDX technique confirmed
the growth of Zn2SnO4 nanorods with diameter of 20-25 nm on the ZnO coated FTO substrate with Zn,
Sn and O as a constituent element. As optical properties play important role in the PEC performance
therefor the optical properties are further investigated by the UV-Vis spectroscopy shows the
absorbance in visible and UV region. Linear sweep voltammetry (LSV) is used to quantify the
photoelectrochemical (PEC) response, which gives the photocurrent density of around 40 µA/cm2 . The
PEC measurement including amperometry, electrochemical impedance spectroscopy (EIS), Mott–
Schottky (MS) is also performed to investigate the different properties of photoanode for water splitting
application.

Synthesis of NiO Hole Transport Layer for Efficient Inverted Perovskite Solar Cells
Subhash Chand Yadav1, Manish Kumar Tiwari1, Abhishek Srivastava1, Archana Kanwade1, Jena Akash
Kumar Satrughna2 and Parasharam M. Shirage1*
1
Department of metallurgy engneering and materials science, Indian Institute of Technology Indore, Khandwa
Road, Simrol, Indore, 453552, India
2
Department of physics, Indian Institute of Technology Indore, Khandwa Road, Simrol, Indore, 453552, India
*Corresponding Author’s E-mail: pmshirage@iiti.ac.in; paras.shirage@gmail.com
Abstract: Perovskite solar cells (PSCs) have attracted great attention due to their rapid progress in
achieving superior power conversion efficiency 26%. Recently, the regular perovskite structure (n-i-p
structure) shows the highest PCE with SnO2 as the electron transport layer (ETL), while TiO2 is the
most used materials as ETL due to their favorable opto-electronic properties in PSCs. However, the
high temperature procedure necessary for TiO2 nano-structures and the correspondingly substantial J-
V hysteresis in planar PSCs severely restrict future commercial deployment. In this case inverted PSCs
structure (p-i-n structure) is the most suitable and attractive structure with using NiO as Hole transport
layer (HTL) on the front electrode because of low fabrication temperature, excellent stability and
negligible J−V hysteresis effects. In this work, NiO as HTL was developed and investigated their
physicochemical properties for the inverted PSCs structure.
Cobalt oxide decorated graphenaceous nanocomposite as electro-catalyst for efficient

oxygen evolution reaction in water electrolysis
Harita Pant, Ranjith Reddy, Srikanth Vadali*
School of Engineering Sciences and Technology, University of Hyderabad, Gachibowli, Hyderabad – 500 046,
Telangana, India.
E-mail: vvsssse@uohyd.ac.in
Abstract: Oxygen evolution reaction (OER) is a crucial electrode reaction for energy conversion and
storage, especially in water electrolysis. Many precious metals and metal oxides (Pt, Ru, Ir, IrO2, RuO2)
are the most prominent and widely used catalysts for this purpose. However, due to the limited reserves
and high costs, and poor durability the use of these electro-catalysts for OER is a major hindrance
commercially. Hence, cost-effective, and high performing electro-catalysts are required. In this work,
cobalt oxide decorated few layered graphene (Co3O4/FLG) nanocomposite is synthesized solid-state
reduction method, is tested as an electro-catalyst for the OER. The OER activity of the synthesized
nanocomposite is found to be superior than commercial Pt/C. The high OER activity of cost-effective
Co3O4/FLG provides a new dimension to explore metal oxide-based electro-catalysts for the water
electrolysis.
Electrodeposition of Polymer and metal oxides for application in auxiliary

Electrochromic and Energy storing electrode
Tanushree Ghosh*, Rajesh Kumar
Lead professor: Dr. Rajesh Kumar
phd1901151001@iiti.ac.in, +91-8811018844
Indian Institute of Technology, Indore, Madhya Pradesh, India.
Abstract: To meet the demands of energy crisis, a large amount of work in Material science and
engineering in the form of Supercapacitors, Pseudo-capacitors and Electrochromic electrodes is
currently gaining a lot of attention. Electrodeposition is an efficient technique to fabricate thin films of
metal oxides, polymers etc. and thus obtain highly uniform and dense structured electrodes ultimately

giving rise to highly efficient devices. These electrodes can generally be either a conducting transparent
(ITO/FTO coated) glass substrate or highly conducting carbon cloth or carbon paper. Although the later
largely finds application in energy storage devices; the transparent electrode however enjoys the
advantage of being used in both energy storage devices (like pseudo capacitors) or color switching
windows (like Electrochromic glasses). This work demonstrates thin film deposition of WO3 (metal
oxide) and Polyaniline (polymer) onto both transparent (ITO) and opaque substrates (carbon cloth) and
their corresponding electrode characterization to look into electrochromic and super capacitive
applications. Finally, to summarize the results; sandwiched devices have been fabricated and
characterized thereafter.
The respective electrodes were first characterized using FTIR, Raman and SEM microscopy. Optical
and Spectro-Electrochemical measurements of individual electrodes and final stage devices have been
obtained by performing UV-Vis studies in both biased and unbiased state. In-situ kinematics were
recorded in a Keithley workstation by applying a small pulse train for a designated amount of time. The
Absorbance and Current values thus obtained were analyzed to quantify the overall electrode as well as
device performances. Excellent values of switching, contrast and reversibility along with large area CV
curve, good charge-discharge time indicated successful formation of auxiliary electrochromic and
energy storage electrodes/device.
Synthesis and characterization of PVP assisted zinc titanate nanorods and their
applications in the visible light photocatalytic degradation of pollutants
Yogendra Yadawa, Amit Ranjan*
Department of Chemical Engineering and Engineering Sciences, Rajiv Gandhi Institute of Petroleum Technology,
Jais, Amethi, India.
Abstract: The aim of this present work is to be synthesized an efficient electrospinning metal oxide
nanorods photocatalyst that can harvest visible light for photocatalytic degradation of pollutants. Metal
oxides photocatalyst of different geometry and shapes have proven their enhanced photocatalytic
activity towards pollutant degradation in the presence of visible light. The current research work has
pursued the formation of electro-spun continuous smooth zinc titanate (ZTO) nanofibers. After that, at
low temperature calcinated electro-spun ZTO fibres confirms the amorphous structure of the ZTO
nanorod. However, at higher temperature calcinated as spun ZTO fibres, XRD results suggested the
nanocrystalline nature of rhombohedral zinc titanate (ZTO) nanorods were obtained. Furthermore, the
morphology of calcinated ZTO nanofibers suggest the biggest length (~ 8 μm) of zinc oxide (ZnO) and
zinc titanate (ZTO) nanorods were obtained. In addition to this, the characterization of calcinated
electrospun ZTO nanorods by FTIR, XPS, DRS, and PL spectra suggest the surface states of zinc oxide
(ZnO) and zinc titanate (ZTO) nanorods. More insights into the photocatalysis results will also be
discussed later.

Development of metal-oxide nanostructured interphase in basalt fiber reinforced

polymer composites for structural applications
*Ravi Shankar, Rai and Vivek, Bajpai
Department of Mechanical Engineering, Indian Institute of Technology (Indian School of Mines),
Dhanbad, Jharkhand, India
E-mail: rash.mait@gmail.com
Abstract: Surface treatment of woven basalt fibers were performed to growth zinc-oxide nanostructures
seed-mediated solvo-thermal deposition technique. Different functional groups were developed on fiber
surface to increase the potential bonding site for polymer matrix while fabricating composites. The
optimal value of process parameters such as seeding cycles, growth temperature, growth duration and
molar concentration were evaluated for uniform growth of nanostructures on fabric surface. The basalt
fabric samples were uniformly coated with zinc-oxide featuring a wurtzite structure and hexagonal
nanorods morphology. The growth of well-aligned zinc-oxide nanorods on basalt fabrics were achieved
at 6 seeding cycle, 6 hours of growth duration and 100 °C growth temperature in a 30 mM concentration
of growth solution. The crstallinity, morphology, and compositional attributed of the pristine basalt
fabrics and ZnO-coated basalt fabrics were evaluated using X-ray diffraction, field emission scanning
electron microscopy, and energy-dispersive X-ray spectroscopy. The final composite samples were
fabricated by reinforcing ZnO-modified basalt fabrics with epoxy resin matrix using vacuum bagging
method. The samples were further tested under drop down impact tester and it was observed that the
samples exhibit appreciable increase in the impact energy absorbance capacity due to enhanced
interfacial properties.
Microstructure and tensile properties of AZ91 alloy with individual and combined
Calcium and Strontium additions
Ankush S. Marodkar* and Hemant Borkar
Department of Metallurgy Engineering and Materials Science, Indian Institute of Technology
Indore, Simrol, Khandwa Road, Indore-453552, Madhya Pradesh, India
*Corresponding author, e-mail: phd1801205010@iiti.ac.in
Abstract: The effect of individual and combined additions of Ca and Sr additions on the microstructure
and tensile properties of AZ91 Mg alloy has been studied. The optical microscope (OM) and field
emission scanning electron microscopy (FE-SEM) were used to characterise the microstructure, and an
X-ray diffractometer was used to analyse the phases in the cast samples. The evolution of Al4Sr and
Al2Ca phases was found with the suppression of the β-Mg17Al12 after Ca and Sr additions. Individual
Sr addition resulted in the formation of needle-shaped Al4Sr phases. Individual Ca and combined Ca+Sr
additions, on the other hand, resulted in a skeletal-like structure of secondary phases. After both
individual and combined Ca and Sr additions, the grain refinement of AZ91 has been observed. The
microhardness values and tensile properties of the samples are measured using a Vicker’s
microhardness tester and universal tensile testing machine (UTM). The microhardness was found to
improve after the Ca+Sr additions. The optimum combination of tensile properties was obtained at 1.9
wt.% Ca+Sr addition. The strength of AZ91 alloy decreased when Ca+Sr additions exceeded 1.9 wt%.

Effect of Addition of Ca and Sr on The Microstructure and Creep Behavior of Squeeze

Cast AZ91 Mg alloy
Hitesh Patil*, Abhijit Ghosh, Hemant Borkar
Metallurgy Engineering and Materials Science, Indian Institute of Technology Indore, Indore, Madhya Pradesh
453552, India
*phd1901105004@iiti.ac.in
Abstract: The demand for lightweight materials i.e., aluminum (Al), magnesium (Mg) is increasing
day by day in the automobile industries from the perspective of automobile fuel economy and reducing
the environmental impact. The AZ91 Mg alloy is widely used in the industries because of their excellent
mechanical properties; however, its application is limited by its poor creep resistance. In the Present
study, the effect of calcium (Ca) and strontium (Sr) addition on the microstructure and creep behavior
of squeeze cast AZ91 Mg alloy has been analyzed. Tensile creep test is performed at temperatures of
150 under 50MPa stress. The study shows an increase in creep resistance of AZ91 Mg alloy with Ca
and Sr addition. Microstructural investigations with scanning electron microscopy confirm that the
precipitation of thermally stable Al2Ca and Al4Sr phases with skeleton morphology and needle
morphology respectively leads to increased creep resistance.
Influence of Bi doping on the structural, microstructural and electrical properties of Se-

Sn glassy alloys
Pankaj K. Mishra1, H. Kumar1*
1Department of Physics, Christ Church College, , Kanpur, 208001, India
1* Department of Physics, Institute of Science, Banaras Hindu University, Varanasi-221005, India
Presenting author E-mail Id: pankajmishra2187@gmail.com
Abstract: In this research, we report the synthesis of bulk Se95-xSn5Bix (x=0, 4, 8) alloys, using melt-
quench technique. This study also reports the structural, microstructural and electrical properties of the
prepared samples. The x-ray diffraction analysis (XRD) revealed the polycrystalline nature of prepared
samples. For microstructural characterization scanning electron microscopy (SEM) and transmission
electron microscopy (TEM) have been used. This characterization clearly reveals the nanostructuring
in the prepared samples. The TEM images of samples, x=4 and 8 indicate that there may be two phases
co-existed in these samples. The dielectric constant and dielectric loss are decreased with frequency
and at still higher frequencies these became constant. For compositions with x=0&4, increases with
temperature. For x=8, behavior is non-monotonous. Dielectric loss follow an increasing trend with
temperature for all the samples. Strong dependence of conductivity over temperature is explained in
terms of Non-overlapping small polaron tunneling (NSPT) and Correlated barrier hopping model
(CBH) models.

Mechanics of Materials (MM)

Characterization of a detachable fins a review
Mr.MK Gupta1, Dr. Alka Bani Agrawal2 Dr. Nitin Shrivastava,3
Department of Mechanical Engineering,UIT RGPV Bhopal (M.P.)-462033, India1, 2, 3

(manoj.kgupta69@gmail.com1, alk_agr11@yahoo.in2, er_nitinshrivastava@rediffmail.com3)
Abstract: Quick heat exchange using fins has got a lot of attention in recent years, and as a result, it’s
become popular in variety of usage. Its adaptability has led to fast expansion in a variety of engineering
applications, Including engineering industry, process design, and a variety of heat exchange application,
through its implementation in different furnace application, particularly in Graphite Furnace. The
Detachable Fins on Furnace wall is a sophisticated application using higher Metallurgy grade material
(The process of making graphite is at 3000 oC) for fins which can sustain high temperature that reduce
the temperature as and when required due to its control capabilities. The Fins can create a high level of
heat exchange while requiring only initial investment, responding quickly and flexibly, and being
simple to build. In view of the rising demand for Detachable Fins, this paper examines the advantages
of these systems over fixed type fins heat exchanger.
Sustainable and Environmental Materials

Gaurav Dane
Lecturer, Civil Engineering Department – Directorate of Technical Education, Bhopal, Government Polytechnic
College Sendhwa, Research Scholar, Shri G.S.Institute of Technology & Science, Indore Madhya Pradesh, India
E-mail: gaurav.dane@mp.gov.in
Abstract: Civil Engineering Researchers across the world are trying to produce reclaimable and
"NATURAL RESOURCE" saving concrete for the purpose of construction which should be
"SUSTAINABLE" known as “GREEN CONCRETE”.Sustainability and Durability are among the
important attributes of present-day concrete constructions.When sustainability is looked at for a
particular process or a particular material it has to satisfy 3 aspects, the Social aspect, the Environmental
aspect and the Economic aspect. High strength concrete and High performance concrete is widely used
now a days in which Supplementary cementing materials have been a crucial component. Due to the
deposition of waste material on landfill, several environmental problem arise. To overcome such
problems alternate sustainable materials can be taken into consideration.
Industries generate a considerable amount of by-products or wastes, such as fly- ash, copper slag, silica
fume, GGBS etc. which cause environmental and health hazards due to dumping and disposal.It is
expected that proper utilization of byproducts will reduce the dead load of structures and carbon
emission. Using such material will enhance the carbon credits.To optimize the mix design, various
design of experiments method like Taguchi method or Mixture design can be used and model will be
developed for Performance prediction of Concrete.

Pressure Dependent Ground State, Elastic and Thermo Physical Properties of

Europium and Lanthanum Mixed Alloy Chalcogenides EuxLa1-xS (x = 0, 0.45, 0.85, 1).
Sanjay Jain1
1
Department of Physics IPS Academy, IES Indore-452012
jainsanjay470@gmail.com
Abstract. The pressure dependent elastic, mechanical and thermo physical properties of rock salt (B1)
to CsCl (B2) structures in Europium chalcogenides EuxLa1-xS (x = 0, 0.45, 0.85, 1) are presented using
model inter-atomic potential with inclusion of zero point energy. As the doping concentration of
Europium increases transition pressure decreases with large volume collapse. Calculated transition
pressure for EuS, Eu0.45La0.55S, Eu0.85La0.15S, LaS are 21.5GPa, 25.6GPa, 23.6GPa, 27.5GPa
respectively. Furthermore the increment in doping concentration of Europium leads the material EuxLa1-
xS (x = 0, 0.45, 0.85, 1) towards more brittle nature Enhancement in Debye Temperature (θD) in B1
phase at higher pressure indicates the mechanical stiffening of lattice. Pugh’s and Poisson’s ratio
indicate brittle nature of material EuxLa1-xS (x = 0, 0.45, 0.85, 1). The present results are in general in
good agreement with experimental and other theoretical technique available for the end point members
(x = 0 and x = 1).
Development of Super-strong High Entropy Alloys by a Novel Hybrid Processing Route

Seelam. R. Reddy1,2, Pinaki P. Bhattacherjee2,3
1
Department of Metallurgical and Materials Engineering, VNIT Nagpur, India
2
Department of Materials Science and Metallurgical Engineering, IIT Hyderabad, India
3
Department of Materials Science and Engineering, Kyoto University, Japan
E-mail: srreddy@mme.vnit.ac.in
Abstract: Super strong structural materials have gained greater attention in recent years. Novel
thermomechanical processing strategies have high prominence in the development of advanced
materials with heterogeneous microstructures. High entropy alloys (HEAs) were one of the new classes
of materials that have shown superior mechanical properties development. We highlight the
opportunities of combining the novel processing strategies with HEAs for developing super strong
materials. In the present study a novel lamellar AlCoCrFeNi2.1 eutectic HEA (EHEA) consisting of L12
and B2 phase was severely deformed by the unique hybrid-rolling process strategy consisting of cryo-
rolling followed by warm-rolling imparting equal true strain in both steps. An extremely heterogeneous
microstructure featured by retained lamellar and transformed nanocrystalline regions was achieved by
this novel processing approach. The novel dual structure-compositional heterogeneous microstructure
originated from the stored energy of the cryo-rolling stage, which accelerated the microstructural and
phase transformations during subsequent warm-rolling at 600 °C while minimizing the grain and phase
growth. The unique dual heterogeneous microstructure resulted in super-strong material with an
outstanding combination of strength (~2000 MPa) and ductility (~8%). We further compare the
properties developed by using this processing strategy with existing technologies and give a
comprehensive overview.

Microstructure and mechanical properties of additive manufactured and high-pressure

torsion processed IN718/SS316L multi-material structures
Sandeep Sahu1*, James Harris1, Nong Gao1, and Andrew R. Hamilton1
1
Department of Mechanical Engineering, University of Southampton, Southampton - SO17 1BJ, UK
*s.sahu@soton.ac.uk
Abstract: Additive manufacturing (AM) technologies are being investigated to join multiple metallic
powders within a single printed component. In this context, we joined Inconel 718 (IN718) with 316L
stainless steel (SS316L) via laser powder bed fusion (LPBF). A good bonding was observed at the
interface in the as-printed condition, though with some defects. As-printed materials were processed by
a quarter, half, one, five and ten turns of high-pressure torsion (HPT) at room temperature to enhance
the mechanical properties. Microstructure examination showed that the melt pool and cellular structure
obtained after LPBF got extremely refined after HPT treatment. The porosity fraction reduced
significantly after HPT, achieving densification of 99.9% after half-turn. X-ray diffraction (XRD)
analysis revealed a significant increase in dislocation density and a decrease in crystallite size.
Consequently, microhardness increased and got saturated at ~500 Hv after ten turns, with a significant
reduction in anisotropy across the diameter. This enhancement is attributed to the effective grain
refinement and dense dislocation tangling networks over lave phases and carbides, as evidenced by
transmission electron microscopy (TEM) and XRD results. The study indicates that utilizing severe
plastic deformation is a viable post-processing route to enhance the strength of AM-processed multi-
material structures.
Elucidating the Grinding Material Removal Mechanism using Adjacent Grit Scratching
and Cross Scratching: Finite Element Modeling
Vishwas Divse, Ashwani Pratap, Suhas S. Joshi
Department of Mechanical Engineering, Indian Institute of Technology Bombay, Bombay, India
Department of Mechanical Engineering, Indian Institute of Technology Bombay, Bombay, India
Department of Mechanical Engineering, Indian Institute of Technology Indore, Indore, India
E-mail: ssjoshi@iiti.ac.in
Abstract: Grinding has been a widely adopted process for final finishing of components to impart
required surface finish and integrity for the intended application. However, accurate understanding of
the material removal mechanism in grinding is difficult, owing to randomly distributed abrasive grits
on the grinding wheel surface. In the past, double grit scratching experiments were performed on Ti-
6Al-4V to understand the cumulative material removal mechanism of abrasive grits in grinding. It was
revealed that the overall material removal mechanism is affected by the interaction effect of the adjacent
abrasive grits. The underlying phenomena at material scale affecting the surface generation could be
quantified from the experiments. However, to understand the material behavior under the effect of
multiple grits in grinding, finite element model has been developed. It considers two abrasive grits
positioned at a spacing scratch successively on the workpiece surface. Simulations have been performed
for different grit spacing to understand its effect on material pile-up, chip removal, and surface
morphology, during scratching of Ti-6Al-4V workpiece. Material straining and stress relaxation have
been identified as the main factors affecting the material removal mechanism and elastic recovery.
Accuracy and feasibility of the proposed model have been verified with the experimental results.

Corrosion and Surface Protection (CSP)

Electrochemical Corrosion Studies of Metals & Alloys for Membrane Reactor
Applications in HIx Section of IS Thermochemical Process for Hydrogen Production
Ritu Parashar1,2*, Bipin Chandra Nailwal2, Nitesh Goswami2, Soumitra Kar1, 2, Vivekanand Dubey3,
Supratik Roychowdhury3, Asis Kumar Adak2, Suresh Chandra Parida1,4, Sulekha Mukhopadhyay1,5
1
Homi Bhabha National Institute, Anushakti Nagar, Mumbai – 400094
2
Desalination & Membrane Technology Division, Bhabha Atomic Research Centre, Trombay, Mumbai - 400085
3
Materials Processing & Corrosion Engineering Division, Bhabha Atomic Research Centre, Trombay, Mumbai -
400085
4
Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai - 400085
5
Chemical Engineering Division, Bhabha Atomic Research Centre, Trombay, Mumbai - 400085
*
Corresponding Author: rparashar@barc.gov.in
Abstract: Iodine-Sulphur (IS) thermochemical water splitting cycle assumes significant importance
because of predicted high thermochemical efficiency (~50%). The third section of IS process, i.e., HI
decomposition section, is the most important one that dictates the overall efficiency of the cycle,
because of very low equilibrium conversion of HI to H2 (~22% at 700K). A metal membrane reactor is
used to enhance this conversion. Due to highly corrosive nature of HIx section, selection of candidate
metal becomes a challenging task. In this work, the authors report for the first time, the corrosion and
passivation studies of metals (Ta, V, Pd) and metal alloys (Ta (95%)-W (5%), V (95%)-Fe (5%)), along
with their comparative evaluation in HIx environment by electrochemical technique. In order to reveal
the corrosion resistance of different metals and metal alloys used for metal membrane applications,
significant characterization parameters, such as Ecorr, Icorr in polarisation curves were analyzed and
compared. The optical images were taken before and after electrochemical exposure of metal/alloy
coupons. The corrosion resistance of metals and metal alloys were found in the descending order of Ta-
W>Ta>V-Fe>V>Pd. The findings offered potential clue to choosing a suitable metal as membrane, and
its potential lifecycle in process environment.
Galvanic Corrosion Behavior of FeCoNiCrVZr5 Eutectic High Entropy Alloy

Girish Khanna1, Mayank Singh1, Dhirendra Kumar Rai1, Sumanta Samal1*
1
Department of Metallurgy Engineering and Materials Science, Indian Institute of Technology Indore, Khandwa
Road, Simrol, Indore, 453552, Madhya Pradesh, India
E-mail: sumanta@iiti.ac.in
Abstract: The vacuum arc melting process was used to successfully prepare FeCoNiCrVZr5 partially
eutectic high entropy alloy (EHEA). This eutectic high entropy alloy reveals the presence of face-
centered cubic (FCC) crystal structure and Co2Zr C15-type laves phase. Using the COMSOL
multiphysics software, this study covers experimental and modeling studies on galvanic corrosion. The
modeling resulted in a galvanic corrosion rate of 47.8827 mmpy, while the experimental result was
47.7684 mmpy with an impressive error percentage of 0.2387 percent. EHEA has greater corrosion
resistance than SS316L, with a corrosion rate of 2.27 orders of magnitude lower.

To Reduce Corrosion and Enhance Production rate of Electrode Manufacturing

Process by Control Combustion Technique
Ranjana Yadav1, Dr.Ashok Kumar Sharma2, Dr.Sarita Sharma3
Department of Chemical Engineering, Ujjain Engineering College, Ujjain (M.P.)-456010, India1, 2, 3
(ranjanayadav696@gmail.com1,ashokrls5599@gmail.com2,sarita17115599@gmail.com3)
Abstract: Re-Baking is the exorbitant uneconomical phase in the manufacturing of graphite electrodes
and anodes. Which are too important for the global aluminum and steel sectors? The electrode grades
are based on the pair of basic material quality, and baking situations of the electrode production process.
The manufactures difficulties are to achieve maximum-grade of parameters electrodes with decreasing
corrosion and ecological emission. Depends upon the use of unified aluminum and steel production
plants. Control combustion is needed for burning pitcher volatiles produced through the Re-baking
process. The Re-baking process to a great extent advances the electrode's required strength and
parameters, corrosion and carbon emission, and tonnage rate to a promoted baking stage. The goal of
this research is to outline several techniques for improving the re-baking process and gaining complete
control over pitch burn. The findings demonstrate remarkably improved electrode quality and increased
output.
Fabrication of Titanium Nanotubes for Anti-fogging Application

Pramod KCa, Reshma Yasmin Siddiquiea, Ratan Ahujaa, Amit Agrawala and Suhas S Joshib*
a
Department of Mechanical Engineering, Indian Institute of Technology Bombay, Mumbai 400076, India
b
Department of Mechanical Engineering, Indian Institute of Technology Indore, Indore 453552, India
E-mail: ssjoshi@iiti.ac.in
Abstract: The design of an anti-fogging surface is imperative in frozen food packaging to improve
product visibility. The hydrophilic nature of titanium nanotubes is utilized to realize an anti-fogging
surface. In this work, we fabricate nanotubes in a single step, on a titanium (Ti) surface using the
anodization method. Increasing the anodization time and temperature resulted in a hydrophilic surface
that showed an increase in the nanotubes’ inner and outer diameters and height, corresponding to a
reduction in the contact angle. This hydrophilic surface demonstrated good anti-fogging properties
against moist air (31 %), vapor (33 %) and spray test (28 %) on drying time as compared to the polished
sample. Further, the surface was also examined for its anti-bacterial properties against E. coli bacteria
and showed a direct correlation with the contact angle of the surface. Thus, exhibiting good anti-fogging
and anti-bacterial properties.

Improvement in tool wear behavior and tool life in high-speed micro turning using
hybrid cryogenic cooling technique
Arnab, Das*; Vivek, Bajpai
Department of Mechanical Engineering, Indian Institute of Technology (ISM) Dhanbad, Jharkhand, 826004, India
E-mail: das94arnab@gmail.com
Abstract: Miniaturization is an evolving phenomenon in modern manufacturing that promotes

several micromachining technologies. Micro turning is one of the emerging micromachining
technologies which has been applicable to fabricate miniaturized cylindrical components. However,
very low material removal rate and difficulties in maintaining dimensional accuracy have made the
micro-turning technology very less applicable for industrial and research purposes. Additionally,
surface degradation and tool wear were significant in micro-turning operation. This study presents an
approach to improve the tool wear behavior and tool life in high-speed micro-turning incorporating
hybrid cryogenic cooling. Micro-turning operations have been performed on lead free brass alloy at
three different levels of cutting speed with constant feed rate and depth of cut. A simultaneous flow of
liquid nitrogen and vegetable oil-based MQL has been supplied to the machining interface. The
performance has been compared with cutting oil-based MQL, and cryogenic cooling. Additionally, the
tool life has been estimated from the flank wear propagation on the cutting tool. The flank wear width
has been reduced by 54% in hybrid cryogenic cooling as compared to cutting oil-based MQL, and 61%
as compared to cryogenic cooling. The flank wear propagation length has been reduced as well by
applying hybrid cryogenic cooling technique.

Energy Materials (EM)

Structural and Transport Properties of P2-Type Na0.70Ni0.20Cu0.15Mn0.65O2 Layered
Oxide
Hari Narayanan Vasavan, Samriddhi Saxena, Manish Badole, Asish Kumar Das, and Sunil Kumar*
453552, India
E-mail: sunil@iiti.ac.in
Abstract: P2-type layered oxides are considered one of the most promising cathode materials for Na-
ion batteries. Herein, the structural, electrical, and electrochemical properties of P2-type
Na0.70Ni0.20Cu0.15Mn0.65O2 (NNCM) ceramic fabricated via a sol-gel method were investigated. The
Rietveld refinement of the room temperature XRD diffraction data confirmed the formation of a single
P2-type phase with P63/mmc space group for the powder calcined at 850 ℃. Complex impedance
spectroscopy was employed to investigate the Na-ion conduction dynamics in the material. The
impedance data showed room temperature conductivity of the grains and grain boundaries for the
NNCM ceramic sintered at 950 ℃ to be (5.25 ± 0.03) ´ 10-5 Scm-1 and (4.70 ± 0.05) ´ 10-6 Scm-1,
respectively. The activation energies subsequently calculated for the grain and grain boundary were
0.189 ± 0.008 eV and 0.22 ± 0.01 eV. NNCM also exhibited a sodium-ion transference number of »
0.86, indicating Na-ions' dominance in the overall conduction. The conduction mechanisms and related
relaxations were also investigated using the dielectric and ac conductivity formalisms. In terms of
electrochemical performance, NNCM showed specific capacities of 99 mAh/g and 74 mAh/g at 0.1C
and 1C discharge rates, respectively, with 95% capacity retained after 300 cycles at 1C.
Electrochemical performance as a tool to analyse optimised urchin shaped Zirconia

Kumar Abhisek1, Helen Treasa Mathew1, Shashikant Shivaji Vhatkar1, Ramesh Oraon2*
1
Department of Metallurgy and Materials Engineering
2
Department of Chemistry
Central University of Jharkhand, Ranchi, India
*
Corresponding author: ramesh.oraon@cuj.ac.in
Abstract: Transition Metal Dichalcogenides (TMDs) are considered as one of the promising layered
materials as next generation electroactive materials. These have attracted researchers’ interest
worldwide to meet sustainability demands in several application including energy storage devices. This
work reports electrochemical analysis for the urchin shaped Zirconia nanoparticles (u-ZrNPs) through
a cost-effective co-precipitation technique. Optimised zirconia was subjected to electrochemical
techniques to analyse its chemical activity. By varying moles (0.2, 0.25 and 0.5), the electroactive
zirconia was also subjected to Fourier transform to confirm structural along with XRD and scanning
electron microscopy to investigate morphological features. The cyclic voltammetry was performed to
study the capacitance of zirconia with reference to Ag/AgCl at scan rate(V/s) ranging 0.05-0.0100 Vs-
1
. The specific capacitance was found to be 17.13 Fg-1 at 0.021 Vs-1. The optimal concentration (0.2)
showed the maximum specific capacitance of 204.54 Fg-1 with power density at 4.125 W/Kg. The
synthesised urchin shaped Zirconia also exhibited a limited charge discharge characteristics, suggesting
the pseudocapacitive applicability in low energy storage devices.

Tailored P2-O3 Phase Dependent Electrochemical Behaviour of Mn-based Layered

Oxide Cathodes for Sodium-Ion Batteries
Samriddhi Saxena, Hari Narayanan Vasavan, Manish Badole, Asish Kumar Das, and Sunil Kumar*
453552, India
Abstract: Biphasic cathodes are considered the next step towards the enhancement of electrochemical
properties in Na-ion batteries. Herein a biphasic P2/O3-type Na0.8Mn0.6Ni0.3Cu0.1O2 (NMNC) cathode
is prepared via a sol-gel technique. The synthesized materials were characterized for their structural
(XRD, SEM, XPS), electrochemical (GCD, CV, EIS), and electrical properties. The variation in phase
composition with calcination temperature was studied using the Rietveld refinement of x-ray diffraction
data and the O3 phase fraction was found to increase with the increase in calcination temperature. SEM
images revealed a hexagon-type morphology of NMNC particles. The sample prepared at 850 °C
exhibits the highest specific capacity (100 mAh/g at 0.2C rate in the 2.0-4.2 V voltage window) among
all samples. This sample also demonstrated excellent cyclability with capacity retention of ~ 99% after
100 cycles. Interestingly, the sample calcined at 1000 °C showed an excellent rate performance with a
specific capacity of ~ 60 mAh/g at a fast discharging rate of 6C. In-situ/ex-situ XRD studies were
performed on half-cells to probe the crystal structure modifications during the charging-discharging
cycle. These studies confirmed the role of the non-identical neighbouring phase in stabilizing the
structure in the mixed P2/O3 phase during cycling and in improved electrochemical properties.
Fabrication and Characterisation of PVDF-HFP based Composite Electrolyte

Asish Kumar Das, Manish Badole, Hari Narayanan Vasavan, Samriddhi Saxena, and Sunil Kumar*
453552, India
Abstract: Solid electrolytes are considered a viable alternative to liquid electrolytes in modern Li-ion
batteries. Compared to liquid electrolytes, solid electrolytes offer better safety and good chemical
stability and allow the use of metal anodes and high-voltage cathodes. Among various types of solid
electrolytes, ceramic-in-polymer type composite electrolyte offer reduced interfacial resistance, better
mechanical strength, and improved ionic conductivity by combining the merits of both polymer and
ceramic. In this work, the effect of NASICON-type ceramic fillers on the ionic conductivity,
transference number, interfacial resistance, and electrochemical behavior of the PVDF-HFP-LiTFSI
polymer salt matrix have been investigated. The analysis of the XRD data and the SEM images
confirmed the composite nature of the fabricated solid electrolyte membranes with uniformly
distributed ceramic particles. The ionic conductivity was estimated to be around ~ 10-5 S/cm at room
temperature for the optimized composition. The Li-ion transference number also improved with the
addition of ceramic filler. The electrochemical stability of the composite electrolyte was ~ 4.7 V vs.
Li+/Li. A symmetric Li cell was fabricated to estimate the critical current density of the electrolyte. The
electrochemical behavior of an all-solid-state cell fabricated using the composite electrolyte, LFP as
cathode, and Li metal as an anode is also discussed.

Flaky Nickel Cobalt Selenide for High Energy Density All-Solid-State Hybrid
Supercapacitors
Siddhant Srivastava and Sumanta Kumar Mehera
a
Materials Electrochemistry & Energy Storage (MEES) Laboratory, Department of Chemistry,
Malaviya National Institute of Technology Jaipur, Rajasthan 302017, India
Presenting Author E-mail: siddhantsrivastavmnit@gmail.com
Abstract: The astonishing advancement of portable electronic devices has motivated researchers to
develop highly efficient electrochemical energy storage systems.1 In this context, binary transition metal
selenide based nanostructures have attracted tremendous attention owing to their higher electrical
conductivity and lower band gap.2 With this notion, herein we report a facile anion exchange
hydrothermal synthesis procedure to develop bimetallic nickel cobalt selenide (NiSe2-CoSe2)
nanostructure for its application in all-solid-state hybrid supercapacitors. The detailed physicochemical
characterization of the material reveals lower crystalline characteristics, unique porous microstructure
and considerable bonding between metal and selenium. The electrochemical analyses of the NiSe2-
CoSe2 electrode material showed excellent electro-kinetic reversibility, supercapacitive charge
discharge characteristics and negligible charge transfer resistance (Rct).3 Moreover, all-solid-state
hybrid supercapacitor device assembled using NiSe2-CoSe2 as positive electrode material, nitrogen
doped reduced graphene oxide (N-rGO) as negative electrode and PVA-KOH gel as
electrolyte/separator reveal good redox behavior, excellent charge-discharge properties with negligible
voltage (IR) drop and lower impedance characteristics. The solid state hybrid supercapacitor device
(NiSe2-CoSe2||N-rGO) showed energy density (~57 W h kg−1) of rechargeable batteries and power
density (~10667 W kg−1) of supercapacitors. It is proposed that the bimetallic NiSe2-CoSe2 can be an
excellent electrode material for next generation all-solid-state hybrid supercapacitors.
Anion/cation Substitution in Lead-free Halide Double Perovskite Films: Towards

Bandgap Optimization
Bhawna1 and M. Aslam1*
1
Department of Physics, Indian Institute of Technology Bombay, Mumbai, India
E-mail id: bhawnak.phy@iitb.ac.in, m.aslam@iitb.ac.in
Abstract: In past few years, halide double perovskites have been extensively explored towards
designing eco-friendly as well as stable perovskite-family absorber materials. In this work, we have
successfully fabricated the thin films of Cs2AgBiBr6 double perovskites towards the aim to achieve
lead-free system. The optical studies confirm the large bandgap of 2.27 eV for Cs2AgBiBr6 film. The
post-synthetic treatment of Cs2AgBiBr6 thin film with tin iodide (SnI4; SI) has been performed to
engineer the optical response. The structural and optical studies confirm the phase-purity of the various
SI-treated films. XRD studies further show systematic shift towards lower 2θ values which signifies the
expansion of lattice parameters on substitution in Cs2AgBiBr6 structure. This leads to the reduction in
the bandgap from 2.27 eV for pristine film to 1.75 eV for SI-treated film. The as-prepared pristine and
SI-treated films show good coverage with reasonably large grain size. The controlled doping in lead-
free double perovskites for improved optical properties might help in strengthening their use for future
device applications.

Bandgap Engineered Mixed-Halide MAPbBr3-XClX Perovskite Films via Vacuum-

Based Deposition Approach
Rekha Yadav1 and M. Aslam1*
1
Department of Physics, Indian Institute of Technology Bombay, Mumbai, India
E-mail id: rekhayadav@iitb.ac.in, m.aslam@iitb.sc.in
Abstract: Mixed-halide perovskites offer important characteristic of bandgap tunability which is
essential for tandem solar cells. Herein, we report bandgap tuning in vacuum-deposited MAPbBr3
(MA= CH3NH3) thin films via MACl vapor treatment. We have successfully tuned the bandgap from
2.35 eV to 2.43 eV via this method. The limitation of Cl incorporation in the perovskite structure at
room temperature is tackled by using MAPbBr1.5Cl1.5 and MAPbBrCl2 nanoparticles as a source for
thermal evaporation in place of MAPbBr3 and further increment in bandgap is achieved. The structural
properties of MAPbBr3-XClx films show continuous shift in X-ray diffraction (XRD) peak towards
higher 2 theta value, confirming the Cl incorporation in the perovskite structure. Bandgap tuning in
MAPbBr3-XClx films, from 2.36 eV to 2.76 eV, has been confirmed by emission spectroscopy. The
mixed-halide films show improved microstructure with MACl treatment as observed by increased grain
size of the films. Further, emission studies show good stability of MAPbBr3-XClx films against phase
segregation under continuous exposure to 355 nm wavelength illumination of 25 mW/cm-2 for two
hours. The diminished phase segregation might help in advancing the application of mixed-halide
perovskites for reliable optoelectronic devices.
Bamboo-shell based binder free activated carbon electrode for high-performance

supercapacitor applications
N. Anitha, N. Jayarambabu, R. Prabhu, T. Venkatappa Rao*, Jitesh Pani, Hitesh Borkar
Department of Physics, National Institute of Technology, Warangal-506004, India.
* Corresponding author e-mail: tvraokmm@nitw.ac.in
Abstract: Industry and academics have shown great interest in green, clean, and renewable energy
sources and their storage to combat the ongoing global climate change. Due to its low cost, eco-friendly
structure, and renewable nature, porous carbon from biomass waste is a significant topic to study. In
this work, activated carbon was produced from bamboo shell waste at a temperature of 700°C,
carbonization followed by chemical activation using KOH for supercapacitor applications. Crystal
structure, optical, and the carbon-containing functional groups of the prepared activated carbon were
investigated and confirmed by X-ray diffraction, Raman spectroscopy, and Fourier transform infrared
spectroscopy. FESEM and BET images revealed the highly porous microstructure of the activated
carbon. These pores make it simple for the electrolyte ions to access them, which helps them have an
adequate capacity for charge storage which is appropriate for supercapacitor performance. Energy
dispersive X-ray spectroscopy confirmed the presence of carbon and oxygen, further confirmed by the
XPS spectra. The prepared electrode was examined using cyclic voltammetry, electrochemical
impedance spectroscopy, and galvanostatic charge-discharge. Our study first reported the highest
specific capacitance of the bamboo shell-based binder-free activated carbon electrode at 1 A/g was
330.55 F g-1 in a 2M KOH aqueous electrolyte solution.

Tailoring the Opto-Electronic Properties of Oxide-Metal-Oxide Transparent Electrode

Using Cu Seed Layer
Nikky Chandrakar*, Arun Kumar, Sonia Rani, Dhriti Sundar Ghosh
Thin film & Photovoltaic Laboratory, Department of Physics, Indian Institute of Technology (IIT) Bhilai, Raipur,
India
E-mail: nikkyc@iitbhilai.ac.in
Abstract: The oxide-metal-oxide architecture is a promising approach for the development of the high-
performance indium-free transparent electrode (TE), which is a key component of various
optoelectronic devices such as solar-cells, organic LEDs, and touchscreens. Here in this work, we have
shown high-performance TE consisting of TiO2/Ag/TiO2 (TAT), with the incorporation of a copper seed
layer. The seed layer increases the wettability and improves the adhesion of deposited Ag film on the
TiO2 layer. Before the experimental realization, optical modeling is performed by using MATLAB code
based on the transfer matrix method. The optimum thickness obtained from the simulation is 30 nm for
both undercoat and overcoat TiO2 with the average transmittance in the visible region >85% for Ag
thickness of 9nm. With inputs from the optical modeling, TEs were experimentally realized with and
without the Cu seed layer. It has been found that the TE with an additional sputtered Cu (1 nm) seed
layer is essential for the smooth growth of silver film and shows better electro-optical performance
(sheet resistance ≈10 Ω/□ and average transmittance in the visible spectral range ≈87%) than TAT-TE
without seed layer. The electro-optical and morphological properties of the TiO2/Cu/Ag/TiO2 structure
make it suitable for optoelectronics.
Barium titanate-based, lead-free ceramics of different compositions: a detailed

structural analysis
Vartika Khandelwal1, Piyush Siroha1, Meenakshi1, Ramovatar1*
1
Department of Physics and Astrophysics, Central University of Haryana, Mahendragarh, India
E-mail: ramovatar@cuh.ac.in
Abstract: Recently, there has been a lot of focus on developing new lead-free piezoelectric ceramics
to replace lead-based materials like PZT. BaTiO3 is one of the most popular substitutes for lead-based
materials due to its excellent dielectric properties (~104) and reasonable piezoelectric response (d33 =
190 – 400 pC/N). Properties of BT based materials can be modified by incorporating appropriate
dopants at Ba2+ and Ti4+ sites. The researchers have shown the great interest in BT based oxides after
the discovery of Ca2+ and Zr4+ modified BaTiO3 based (Ba0.85Ca0.15) (Zr0.1Ti0.9) O3 oxide with electrical
properties at MPB. In present study, lead – free Ba0.92Ca0.08Ti0.91Zr0.09O3 (BCZT- 92) and
Ba0.98Ca0.02Ti0.93Zr0.07O3 (BCZT - 98) ceramics have been fabricated by solid - state reaction method at
the sintering temperature of 1400 0C. The detailed structural studies of both compounds have been
performed. The XRD analysis of BCZT – 92 and BCZT – 98 compositions revealed the perovskite
structures and coexistence of tetragonal (T) and orthorhombic (O) phases. These phases were also
confirmed by Rietveld refinement using XRD data. Moreover, lattice parameters, cell volume, bond
length and bond angle of both ceramics were calculated using Rietveld refinement and vesta software.
The obtained values are analogous with that observed in BCZT ceramics.

Design of Heterostructured Ceria Nanoparticle Decorated MXene Photocatalyst for

Enhanced Solar Hydrogen Generation
Rajashree P. Mishra1,2, Niharika Kumar1,2, Sweta Bastia1,2, Yatendra S. Chaudhary1,2
1
Materials Chemistry Department, CSIR-Institute of Minerals and Materials Technology, Bhubaneswar-751013,
India
2
Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201 002, India
E-mail: yschaudhary@immt.res.in
Abstract: The efficient separation of photogenerated electron-hole pairs plays a vital role in governing
the overall activity photocatalytic activity. Ceria is one of the abundant rare earth oxide, having
advantages like non-toxic, stable, inexpensive, and chemically inert. Nonetheless, it exhibits low
photocatalytic efficiency due to its limited light harvesting and fast charge carrier recombinations. In
order to reduce recombination of photogenerated charge carriers, the formation of a potent
heterostructure is desired that eventually can improve the charge carrier separation and their kinetic
across the formed hetero-interface. Herein, the ceria nanoparticles have been grown on the 2-D MXene
(Ti3C2) to form a heterostructured photocatalyst by a hydrothermal method,5 which exhibit fast carrier
migration efficiency, good interfacial effect, and eventually enhanced photocatalytic hydrogen
generation. In order to optimize the photocatalytic hydrogen generation efficiency, different ceria
loading amount varied and the 5% CeO2-Ti3C2 MXene exhibit the higher photocatalytic hydrogen
generation, at a rate of the order of 1277 μmolg-1h-1, far exceeding than that of shown by bare ceria. The
detailed results on the optimization of photocatalytic hydrogen generation, the structural
characterization using XRD, SEM and Raman will be presented in detail.
Ultra-porous Cobalt Nickel Oxide for High Efficient All-Solid-State Asymmetric

Supercapacitors
Neeraj Lambaa, Siddhant Srivastava and Sumanta Kumar Mehera
a
Materials Electrochemistry & Energy Storage (MEES) Laboratory, Department of Chemistry,
Malaviya National Institute of Technology Jaipur, Rajasthan 302017, India
Presenting Author E-mail: neerajlamba0001@gmail.com
Abstract: The rapidly increasing demand for sustainable energy has inspired researchers to develop
efficient electrochemical energy storage devices.1 Considering this, binary transition metal oxides with
high surface area have attracted great interest as a new class of porous materials due to their structural
tunability and porosity for application in energy storage devices.2 With this inspiration, we herein report
a simple one-step facile approach for the synthesis of cobalt nickel oxide (CoNi2O4). The material was
subjected to thorough physicochemical characterizations, which revealed distinct crystal characteristics,
ideal elemental composition, and highly porous unique microstructure. Electrochemical studies of the
CoNi2O4 as electrode material revealed good redox kinetics, pseudocapacitive charge-discharge
behavior, minimal charge transfer and solution resistance. Additionally, the fabricated all-solid-state
asymmetric supercapacitor device assembled with CoNi2O4 and nitrogen-doped reduced graphene oxide
(N−rGO) as the positive and negative electrode materials, respectively, showed good kinetic
reversibility, pseudocapacitive charge-discharge behavior with low charge transfer and total series
resistance.3The solid-state asymmetric supercapacitor device (CoNi2O4||N−rGO) showed energy
density (~31 W h kg−1) of a rechargeable battery and power density (~9358 W kg−1) of a supercapacitor.
Therefore, the CoNi2O4 material can be an excellent choice to fabricate ultra-efficient all-solid-state
asymmetric supercapacitor devices.

Importance of Salts Selection in Fabrication of K0.5Bi0.5TiO3 Ceramics via Molten Salt

Synthesis
Manish Badole, Hari Narayanan Vasavan, Samriddhi Saxena, Asish Kumar Das, and Sunil Kumar*
453552, India
Abstract: The present study reveals the effect of salts (NaCl & KCl) on chemical composition,
structural and electrical properties of K0.5Bi0.5TiO3 (KBT) piezoceramics prepared via molten salt
synthesis (MSS). The NaCl & KCl salts were separately used in MSS of KBT ceramics, named as KBT-
Na & KBT-K respectively, and characterized for structural, dielectric & piezoelectric properties. These
results were systematically compared with conventionally prepared pure N0.5Bi0.5TiO3 (NBT) and KBT
ceramics. The average grain size and elemental distribution observed by scanning electron microscopy
and energy dispersive X-ray analysis in KBT-Na samples signify the formation of NBT instead of KBT
ceramic. The Rietveld refinement on X-ray diffraction data of the KBT-Na sample suggested
rhombohedral (R3c) phase which is analogous to pure NBT ceramic. A diffuse phase transition (Tm ~
270 °C) was observed in temperature- dependent dielectric measurements of the KBT-Na sample. These
results suggest the reaction of NaCl salt during the MSS of the KBT-Na sample. Moreover, the KBT-
K sample exhibit the presence of the Aurivillius phase suggesting the loss of potassium during the
removal of KCl salt. The higher conductivity and lower piezoelectric coefficient ((d33) ~ 4 to 5 pC/N)
compared to conventionally prepared ceramics were observed in MSS synthesized samples.
Electrochemical behaviour of wet chemical processed Pr2CrMnO6 double perovskites

Jitesh Pania, Vishawajit Gaikwadb , Hitesh Borkara
a
Department of Physics, National Institute of Technology, Warangal, Telangana 506004, India
b
Department of Physics, Amolakchand Mahavidyalaya, Affiliated to SGB Amravati University,
Yavatmal, Maharashtra 445001, India
Corresponding author E-mail: bhitesh@nitw.ac.in
Abstract: Double perovskite has multifunctional applications with remarkable physio-chemical
properties. New Pr2CrMnO6 double perovskite materials have been synthesised by wet chemical route.
X-ray diffraction peaks belong to a monoclinic crystal structure with P21/n space group. SEM
morphology shows that spheroidal kind of nature. Electrochemical behaviours are performed in a three-
electrode system. Here, Ag/AgCl is used as the reference, Pt as the counter and the working electrode
is prepared on nickel foam by pasting Pr2CrMnO6. Electrochemical measurements were performed in 2
M KOH electrolytes and show super-capacitive behaviour. The calculated specific capacitance was
found to be 177 F/g at 1 A/g. Further, electrode stability has been tested by performing various charging
discharging cycles and retention was attained, which indicates the Pr2CrMnO6 double perovskite
capability for energy storage application.

Medium dielectric constant of rare earth chromites

Shivendra Tiwari, Prabhav Joshi, Ashutosh Mishra
Material Science Laboratory, School of Physics Vigyan Bhawan, Devi Ahilya University Khandwa Road Campus
Indore 452001, India
E-mail: shivendrat953@gmail.com
Abstract: Here in, we report YCrO3, LaCrO3, and GdCrO3 rare earth based chromites multiferroics
materials synthesized by solid state reaction technique, structural analysis and phase formation study
using XRD characterization. Dielectric constant study in the dependence of temperature and frequency.
These sample exhibit medium dielectric constant value which is useful for different electronic circuit
as a capacitor and showing lower loss value, materials are various function including blocking,
coupling, decoupling and energy storage, it is useful application for our laboratory experiment program.
Capacitor of capacitance depends on different area and thickness of these sample and different ionic
radii of rare earth element.
Role of pore size and pore volume in Fe-doped cobalt hydroxide-based nanomeshes for
oxygen evolution reaction
Shashank Sharma, Amit Paul*
Department of Chemistry, Indian Institute of Science Education and Research, Bhopal, India.
E-mail: ssharma19@iiserb.ac.in, apaul@iiserb.ac.in
Abstract: Iron-doped cobalt-based layered double hydroxides (LDHs) are cost-effective
electrocatalysts for oxygen evolution reaction (OER) associated with the conversion of clean and
renewable energy. Herein, we report ultrathin nanomeshes with different Co to Fe ratios and the role of
pore size and pore volume for OER. The as-prepared nanomeshes Co0.8Fe0.2(OH)x possess abundant
oxygen vacancies, three-dimensional porous feature, and optimum pore size (~3.8 nm having pore
volume 0.68 cm3/g) which allows for the lowest overpotential 314 mV and small Tafel slope of 54
mV/dec, while also providing excellent mass activity 435 Ag-1 which is ~4.7 times greater than undoped
Co(OH)2 at an overpotential of 350 mV. The understanding of Fe-doping induces amorphization, which
provides more accessible surface area and optimum pore size, providing new insights into developing
highly efficient catalysts.
Infrared Solar Module Defect Classification using Convolutional Neural Networks and
SMOTE Ensembles
Chandra Mohan Bhuma
Professor, ECE Department, Bapatla Engineering College, Bapatla, India
chandrabhuma@gmail.com
Abstract: Defects and damages in the solar PV panels may cause severe degradation of the power
output. Defects may be caused in the manufacturing process, transportation or in the installation
process. Some of the defects that can occur in solar panels include hotspots, micro cracks, broken
glasses, dust build up on the panel, poor string connection, Vegetation, shadowing, soiling, bird
droppings and snail tails. In this work, a deep learning algorithm is proposed to identify the defects.
By using transfer learning approach, features are extracted from the selected pre trained networks.
Further, features are concatenated. Three Synthetic Minority Over Sampling techniques are applied
independently on the concatenated features. An ensemble approach with majority voting strategy is
employed on the over sampled datasets. The dataset chosen for this work is an Infrared Solar Modules
dataset comprising 20000 images, 12 classes (1 normal class and 11 defective classes) and is an

imbalanced dataset. Imbalanced classification metrics, i.e., Geometric mean, and imbalance accuracy
are used to assess the performance of the proposed algorithm. Superiority of the proposed algorithm is
justified with extensive simulations. Results are presented for a 12 classes (normal and 11 defective
classes), 11 classes (11 defective classes only) and 8 classes (selected defects) problem.
Development of Synthetic Natural Gas (SNG) Production Process using Green

Hydrogen
Sachin Kamath*, Sandeep K C, Kalyan Bhanja
Heavy Water Division, Chemical Engineering Group, Bhabha Atomic Research Centre, Mumbai, India
E-mail: sachin@barc.gov.in
Abstract: Hydrogen is rapidly gaining significance as a green energy carrier owing to the growing
concerns over greenhouse gas emissions and recent government policies to curb global warming. Water
electrolysis is the only process to produce green hydrogen using renewable energy source. Deployment
of green hydrogen would be a gradual process and during this transition, the existing rate of emissions
is likely to burden the already alarming level of carbon dioxide present in the atmosphere. Hence,
development and deployment of CO2 capture processes together with green hydrogen production is a
necessity to reduce carbon dioxide emissions as well as maintain atmospheric CO2 levels to safer values.
The present article focuses on development of a combined H2 – CO2 cycle for production of green
synthetic natural gas which can readily be used as a fuel and valuable feedstock in the existing
infrastructure. Hydrogen production from water electrolysis and CO2 capture using conventional
methods is suggested for this process. For natural gas (mostly methane) production, a novel
electrochemical route operating at near ambient conditions is described here. This unique process can
replace energy intensive conventional processes used for methane production.
NiHCF/CNT as a High-performance Solid-State Supercapacitor with enhanced cyclic

stability
Nikhil Gupta, Mayank K Singh, Dhirendra K Rai*
Department of Metallurgy Engineering and Materials Science, Indian Institute of Technology Indore
*
Corresponding author: dkrai@iiti.ac.in
Abstract: Today, environmental degradation caused by the use of nonrenewable energy sources is a
major concern, whereas the use of renewable energy sources necessitates the storage of energy produced
from them. For this, energy storage devices like supercapacitors that provide high power density have
become essential for energy security. In this study, NiHCF was synthesized via co-precipitation from
nickel nitrate and potassium ferricyanide, and it was then combined with CNT via ultrasonication to
form a composite. Various physicochemical characterization techniques were used on the resulting
NiHCF/CNT composite. The electrochemical investigation of the composite material using cyclic
voltammetry (CV), galvanostatic charge/discharge (GCD), cyclic performance, and electrochemical
impedance spectroscopy (EIS) reveals that it has a high specific capacitance (CS) of 444.44 F/g at 1A/g.
According to the cyclic stability study, the composite has increased specific capacitance (216.18%)
after 5000 cycles due to electrochemical activation during repeated cycling. A solid-state symmetric
device will be built later to test its performance.

Chemical and Sorption characteristics of Coal bed Methane and Shale Gas Reservoirs
Aparna Singha*, Vinod A Mendheb, Barun K Nandic, Krishna Sandilya Durbhaa
a
Department of Chemical Engg, IIT(ISM), Dhanbad, Jharkhand-826004, India
b
CSIR-Central Institute of Mining & Fuel Research, Dhanbad, Jharkhand-826004, India
c
Department of Fuel, Mineral and Metallurgical Engg, IIT (ISM), Dhanbad, Jharkhand-826004, India
*
aparna.s21192@gmail.com
Abstract: Coal bed methane and shale gas are emerging clean energy resources for the world, because
recovered methane has high heat value and emit less greenhouse gases during combustion. Hence, it
helps to reduce dependency on coal combustion in thermal power stations resulting less harm to
environment cause due to global warming. A thorough investigation on coal bed methane and shale gas
reservoir characteristics have been carried out for Tatapani-Ramkola and Korba coalfields of
Chhattisgarh, India. The samples were analyzed for physical properties, proximate, ultimate, Rock-Eval
and TOC and XRD, surface area, pore size and pore volume and geo-mechanical properties. The
samples were also tested to find thermal maturity of coal and shale rock to understand better for world-
wide applications.
Low-Temperature Synthesis of Lead-Free Cs2AgBiBr6 Double Perovskite Ink

Ishwar Sharma1, Hemant Gulupalli1 , Saanjh Thada1 , Satyam Jain1 , Rajendra Kumar Goyal1 , Kunal
Borse1,*
1
Malaviya National Institute of Technology Jaipur, Jaipur, Rajasthan, India 302017
Abstract: Reduced toxicity and better atmospheric stability have made Cs2AgBiBr6 double perovskite
a promising photo-absorbing material to replace lead halide perovskite in solar photovoltaic
applications. In this work, for the first time, we report a novel low-temperature method for the synthesis
of lead-free Cs2AgBiBr6 double perovskite ink using a salt solution of the constituents of Cs2AgBiBr6
at a temperature of as low as 50 ºC. X-ray diffraction study confirmed the presence of Cs2AgBiBr6
double perovskite crystal structure and UV-visible absorption study was done to calculate band-gap.
Particle size analysis showed that the particle size, in the as prepared ink, lies in the range of 200-1000
µm, while scanning electron microscopy was done on a spin-coated substrate to examine the
microstructural features of the ink. The present work will be helpful in developing low-cost and simple
method for the development of the double perovskite inks further.
Nitrogen- and Oxygen-Functionalized Few-Layer Graphene for Low Activation Barrier

Solid-State Proton Conduction and Supercapacitor applications
Palak Mehra, Midhula Wilson, and Amit Paul*
Department of Chemistry,
Indian Institute of Science Education and Research, Bhopal, Madhya Pradesh, India
E-mail: palak17@iiserb.ac.in, apaul@iiserb.ac.in
Abstract: Solid-state proton conduction (SSPC) has driven a significant amount of interest due to its
fundamental and technological significance in various fields such as fuel cell membranes, sensors,
chemical filters, biological transport systems, etc. Constructing SSPC with humidity-independence
having low activation barriers is crucial in renewable energy applications since they provide consistent
performance over a wide range of temperatures. Herein, we have synthesized nitrogen and oxygen-
functionalized few-layer graphene (NOFG) materials. They revealed an exceptional performance at
room temperature, sub-zero temperature, high temperatures, and under low humidity conditions. Under
fully hydrated conditions (95%RH), the material exhibited a proton conductivity of 4.1 mS cm-1 at

27 °C, gradually increasing to 8.7 mS cm-1 at 95 °C with a small activation barrier of 0.10 eV and nearly
humidity-independent SSPC behavior. The proton conductivity recorded at −20 °C was 2.1 mS cm-1,
which makes this material applicable as a wide range SSPC. We proposed that the basic nitrogen
functional groups, in cooperation with acidic carboxylic acid moieties, produced a low energy barrier
employing acid−base interactions, presumably making proton transport channels self-sufficient. NOFG
demonstrated excellent performance as a supercapacitor electrode material (77 F g-1 at 0.5 A g-1 ) with
∼107% cyclic stability after 10,000 cycles.
Synthesis and Characterization of graphitic carbon nitride and zinc oxide

nanoparticles-based nanocomposite for supercapacitor electrode material application
Arun Kumar1# and Manika Khanuja1*
1
Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi -110025, India
#
Presenting author: E-mail: arun.mscphysics@gmail.com
*Corresponding author: E-mail: mkhanuja@jmi.ac.in
Abstract: In this study, nanocomposite of graphitic carbon nitride (g-C3N4) nanosheets and zinc oxide
nanoparticles (ZnO NPs) have been synthesized using calcination method, g-C3N4 was synthesized
using thermal condensation method followed by thermal acid-etched technique was used to synthesize
TGCN nanosheets. The acid treatment on bulk GCN was used to enhance the active sites and interlayer
spacing which results in higher charge transport in the material. The synthesized nanocomposite was
prepared using 1:1 weight ratio of TGCN and ZnO. The morphology and microstructure of TGCN/ZnO
(TZ) nanocomposite have been characterized using field emission scanning electron microscope
(FESEM) and transmission electron microscope (TEM) technique. X-ray diffraction (XRD) and Fourier
transform infrared spectroscopy (FTIR) technique. The wettability of the synthesized material was
studied using contact angle. The electrochemical measurements of TZ were recorded such as cyclic
voltammetry (CV) at different scan rates, electrochemical impedance spectroscopy (EIS) and
galvanostatic charging/discharging (GCD) by using 6 M KOH (potassium hydroxide). The maximum
specific capacitance of 200.08 mF/g was obtained at 0.02 V/s. The charge transfer resistance (Rct) of
TZ was obtained as 1500 Ω. The GCD measurements of TZ nanocomposite was studied at different
current densities and stability was also studied at 3000 GCD cycles.
Green emission and photoelectrical properties of low concentration Mn doped CsPbBr3

nanocrystals
Aditya Bhardwaj 1 and Ajay Kumar Kushwaha 1,2,*
1
2
Centre for Advanced Electronics, Indian Institute of Technology Indore, Simrol, Indore, M.P.-453552, India
E-mail: akk@iiti.ac.in
Abstract: Doping of CsPbBr3 perovskite nanocrystals offer the effective control on the optical and
optoelectrical properties leading to possibilities for several new applications. Herein, CsPbBr3
perovskite nanocrystals are synthesized with low concentration of manganese doping into perovskite
lattice using MnCl2 precursor. A shift in x-ray diffraction peaks towards higher angles indicates that
Mn as a dopant is present inside CsPbBr3 lattice. The change in the MnCl2 precursor concentration from
5 to 10 mmol, results an increment in the atomic percentage of Mn from 0.3 to 0.5% into the CsPbBr3
crystal. Low concentration of Mn doping (0.3 At.%) in CsPbBr 3 results in enhancement of green
emission, while higher Mn doping (0.5 At.%) results in blue emission. The band gap of CsPbBr3
nanocrystals increases from 2.29 eV to 2.46 eV with increase in the concentration of manganese. The
dark and photoelectrical conductivity of CsPbBr3 nanocrystals is improved in case of low concentration

(0.3 At.%) of Mn doping. The ratio of photocurrent vs. dark current is found to be ~182 in Mn doped
CsPbBr3 crystals film as compared to ~101 for undoped CsPbBr3 crystals film. The low concentration
of Mn doping improves the overall electrical and photoelectrical conductivity of CsPbBr3 perovskite
nanocrystals.
Construction of reduced graphene oxide and nickel oxide based 2D/3D

heterostructures: A experimental and theoretical investigations for supercapacitor and
hydrogen evolution reactions
Mayank K. Singh, Sarathkumar Krishnan, and Dhirendra K. Rai*
Sustainable Energy and Environmental Materials (SEEM) Lab, Department of Metallurgy Engineering and
Materials Science, Indian Institute of Technology Indore, Simrol, Indore 453552, India.
*Corresponding author: Dr. Dhirendra K. Rai, E-mail: dkrai@iiti.ac.in; Tel: +91 731 660 3278
Abstract: Development of sustainable as well as renewable energy sources, particularly, supercapacitor
and hydrogen production through water electrolysis have become the need for energy security. So, the
demand for highly efficient electroactive materials still exists. Herein, nickel oxide/reduced graphene
oxide (NiO-rGO) heterostructures have been synthesized using facile precipitation-ageing-calcination
technique and explored for bifunctional applications such as supercapacitor and hydrogen evolution
reactions (HER). In the virtue of the synergistic effect of redox active NiO and highly conductive rGO,
the resulting heterostructures exhibits excellent performance in supercapacitor as well as hydrogen
evolution reaction. The supercapacitor studies shows that the designed NiO-rGO heterostructures
exhibits impressive specific capacitance of 2125 Fg-1 at 1 Ag-1 with 91% capacity retention even after
5000 charge/discharge cycles. Owing to its excellent storage performance, a symmetrical device (NiO-
rGO//NiO-rGO) has been fabricated which shows a maximum energy density of 68 Whkg-1 and a
maximum power density of 11.58 kWkg-1 with stable performance for 10000 consecutive
charge/discharge cycles. Moreover, the NiO-rGO heterostructures also shows enhanced HER activity
than its individual parts with the overpotential of 176 mV vs RHE at 10 mAcm-2 with 24 h stable
performance. The experimental data were also supported by the results from density functional theory
analysis in terms of the adsorption energy for supercapacitor performance and Gibb’s Free Energy for
HER activity. This work provides platform for facile synthesis of metal oxides and in addition
experimental and theoretical insights to design an efficient and cost-effective catalysts for energy
storage and sustainable hydrogen production.
2D Janus MoSSe Transition Metal Dichalcogenide: An Efficient Electrocatalyst for H2

Evolution
Shrish Nath Upadhyay 1 and Srimanta Pakhira 1, 2, 3*
1
Department of Metallurgy Engineering and Materials Science (MEMS), Indian Institute of
Technology Indore (IIT Indore), Khandwa Road, Simrol, Indore-453552, MP, India.
2
Department of Physics, Indian Institute of Technology Indore, Khandwa Road, Simrol,
Indore-453552, MP, India.
3 Centre for Advanced Electronics (CAE), Indian Institute of Technology Indore, Khandwa
Road, Simrol, Indore-453552, MP, India.
*Corresponding author: spakhira@iiti.ac.in (or) spakhirafsu@gmail.com
Abstract: Recently, 2D Janus Transition Metal Dichalcogenides (JTMDs) with asymmetric electronic
structures are inviting an intense research interest in modern science and technology. Using the first
principles-based periodic hybrid dispersion-corrected Density Functional Theory (DFT-D) method, we
have investigated the equilibrium structure, geometry, and electronic properties of the 2D monolayer
MoSSe JTMD with the electrocatalytic activities for the H2 evolution reaction (HER). We have

performed non-periodic quantum mechanical DFT computations to find out the most favorable HER
pathway on the exposed surfaces of the 2D Janus MoSSe material i.e., on the Mo-edges (100) and S-
/Se-edges (010). To explore the electrocatalytic HER mechanism, reaction pathways and barriers, we
have considered a cluster model system Mo10S12Se9 to illustrate the Mo-edges (100) and S-/Se-edges
(010) of the 2D monolayer MoSSe material. The present study reveals that the Volmer−Heyrovsky
reaction mechanism is thermodynamically favorable reaction pathway to evolute H2 at the Se-
terminated Mo-edges. It was found that the change of free energy barrier (∆G) during the Heyrovsky
reaction at the Se-terminated Mo-edges is about 3.93 - 7.10 kcal.mol-1 (in both the gas and the solvent
phases), indicating an exceptional electrocatalyst for HER with the lowest activation barriers. This study
showed that the Tafel slope (m) is lower in the case of 2D Janus MoSSe material due to the overlap of
the s-orbital of the hydrogen and d-orbitals of the Mo atoms appeared in the HOMO and LUMO
transition state TS1 of the H˙ migration reaction step. A better overlap of the s-orbitals of the hydrogen
atom attached with the Mo and the water cluster (H3O+ + 3H2O) seemed in the HOMO-LUMO
Heyrovsky’s transition state TS2 has found, and this better overlap of the atomic orbitals during the H2
formation in the Heyrovsky’s TS2 reduces the reaction barrier. The better stabilization of the atomic
orbitals in the HER rate-limiting step i.e., H˙-migration TS1 reaction step (in the solvent phase) is a key
for reducing the reaction barrier, thus the overall catalysis indicating a better electrocatalytic
performance for H2 evolution. The present investigation implies how to computationally invent a highly
reactive 2D electrocatalyst from the JTMDs with their exposed edges which are active for effective
HER. This research will enhance the development of 2D JTMDs which will show the lower reaction
barriers during H2 evolution.
H2 Physisorption on Covalent Organic Framework Linkers and Metalated Linkers: A

Strategy to Enhance Binding Strength
Nilima Sinha 1 , and Srimanta Pakhira* 1,2,3
1
Department of Metallurgical Engineering and Materials Science (MEMS), Indian Institute of Technology Indore,
2
Department of Physics, Indian Institute of Technology Indore (IITI), Simrol, Khandwa Road,
3
Centre for Advanced Electronics, Indian Institute of Technology Indore (IITI), Simrol,
Khandwa Road, Indore-453552, MP, India.
*Corresponding author: spakhira@iiti.ac.in (or) spakhirafsu@gmail.com
Abstract: Hydrogen (H2) is deemed as an attractive energy carrier alternative to fossil fuels, and it is
required to store for many applications. Physisorption is one of the promising ways to store H2 for its
practical applications. Covalent Organic Frameworks (COFs) are promising candidates for H2 -storage
due to high porosity, surface area and tunable characteristics. To improve the hydrogen physisorption
in the COFs, the chelation of transition metals (TM) in the building blocks of the framework has been
studied by using first principle-based density functional theory (DFT) method. Here, we report total 96
H2 complexes made of six different COF linkers and chelated with the Sc, Ti and V atoms interacting
with up to 4H2 molecules. The molecular interactions between physisorption H2 and these Sc-, Ti- and
V-chelated linkers have been explored in detail. The binding enthalpy of the most complexes is higher
than ~10 kJ/mol, which is the basic requirement for practical H2 -storage. In the total interaction energy
(between physisorption H2 and chelated linkers), the dispersion and electrostatic interactions are
dominant. This study is essential in finding out the more efficient COF linkers for practical H2 storage.
It can also help to improve the uptake of existing porous materials for H2 storage. The present study
paves a way to design transition metal chelated COFs for an effective H2 -storage and the knowledge
gained from this study is expected to provide some inspiration for developing the corresponding
experiments. It can be predicted that the new porous materials made of these linkers can achieve the

target defined by US Department of Energy “USDOE-2025” for efficient, cost-effective, reliable, safe
and compact hydrogen storage material.
Ni-Co-P alloy electrode for hydrogen evolution reaction

Vernika Gautam1, M S V Ramanan1, Lokanath Mohapatra 1 and Ajay K. Kushwaha 1,2, *
1
2
Centre for Advanced Electronics (CAE) Indian Institute of Technology Indore, Simrol, Indore, M.P.-453552, India
* Corresponding Author: akk@iiti.ac.in
Abstract: In this study, we have deposited Ni-Co-P alloy by electrochemical deposition in which the
cyclic voltammetry (CV) technique was used. Different scan rates were optimized to obtain the desired
morphology for the efficient hydrogen evolution reaction (HER). XRD analysis of the electrodeposited
Ni-Co-P confirmed the formation of the cubic phase Ni-Co and the hexagonal phase P. The
electrodeposited Ni-Co-P was characterized by SEM, and it was observed that with a decrease in scan
rate the roughness of the surface got reduced. EDS analysis of the electrodeposited sample concluded,
with an increase in scan rate the concentration of the Co and P increased whereas, the concentration of
Ni is getting decreased. CV and LSV measurements were performed in 1M KOH for the deposited
sample to investigate the reduction and oxidation potential, and the Tafel curve was plotted to find the
overpotential of the electrodes.

Sustainable and Environmental Materials (SEM)

Electrochemical detection of arsenic in drinking water using carbon-based electrodes
Deepti, Deep Narayan Prakash, Ankit Kumar Singh, Montek Mahapatra and Partha Sarathi Mondal*
Department of Applied Sciences and Humanities, National Institute of Advanced Manufacturing Technology, Ranchi
E-mail: psmondalmbox@gmail.com
Abstract: To detect the ppb level of As(III) contamination in drinking water electrochemically,
possibility of using commercially available pencil graphite electrode (PGE) and modified PGE as
working electrode is explored in the present study. The electrochemical performance of working
electrodes is evaluated by using cyclic voltametry (CV) while anodic stripping voltametry (ASV)
method is used to detect the As(III) concentration. The graphene coated PGE exhibits electrochemical
active surface area of 2.321 cm2 which is higher that bare PGE (0.538cm2) and carbon coated PGE (1.14
cm2).
The optimization of ASV parameters is carried out in aqueous electrolyte containing 1mM of As(III)
and 0.1M of HNO3 as a supporting electrolyte. With optimized ASV parameter, graphene coated PGE
shows highest As(III) oxidation peak current which is ascribed to higher electrochemical active surface
area. Therefore, better limit of detection is expected for graphene coated PGE. The calibration curve
between As(III) concentration and As(III) oxidation peak current will be evaluated for all the working
electrodes by ASV method with optimized ASV parameters and compared. The electrochemical
performance of all the electrodes will be correlated with the surface morphology of the electrodes.
Copper oxide/graphitic carbon nanofiber dispersed array-based electrochemical sensor

for detection of quinalphos and imidacloprid pesticides
Smriti Mishra,a Pradeep Kumar,b,c Shiv Singh* a,b
a
Industrial Waste Utilization, Nano and Biomaterial Division, CSIR- Advanced Materials and Processes Research
Institute (CSIR-AMPRI), Hoshangabad Road, Bhopal, Madhya Pradesh-462026, India
b
Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, India
c
Green Engineered Materials and Additive Manufacturing, Council of Scientific and Industrial Research- Advanced
Materials and Processes Research Institute, Bhopal –462026, India
E-mail addresses: sshiv.singh@ampri.res.in, sshiviitk@gmail.com (S. Singh)
Abstract: Pesticides quinalphos and imidacloprid are widely used in the agricultural field for
controlling pest growth and enhancing agricultural yield. However, their excessive use is harmful to
both living beings and the environment. Thus, in this study, copper oxide decorated carbon nanofiber
(CuO-CNF) was prepared using the chemical vapour deposition method for detecting pesticides
quinalphos and imidacloprid simultaneously. CuO was used as a catalyst and acetylene is used as a
carbon source to grow the CNF. The crystalline structure, elemental composition, morphological
properties, and specific surface area of CuO-CNF were determined by using various physicochemical
techniques including X-ray diffraction, Raman spectroscopy, field emission scanning electron
microscopy, transmission electron microscopy, energy dispersive X-ray, and Brunauer-Emmett-Teller
analyses. The differential pulse voltammetry analysis was used to detect quinalphos and imidacloprid
by using a CuO-CNFs modified glassy carbon electrode. The modified CuO-CNF electrode showed a
linear behaviour with quinalphos and imidacloprid with a limit of quantification as 0.00335 mM and
0.00508 mM respectively. Further, the CuO-CNF sensor was found to have satisfactory detection
accuracy for real water samples, suggesting that CuO-CNF is a promising material for the
electrochemical detection of pesticides.

Solar reduced graphene oxide as highly stable and ultra-sensitive electrocatalyst for
detection of Paracetamol
Shweta Girish Malpure
Institute of Chemical Technology, Mumbai
Abstract: The selective recognition of analyte by suitably designed electrochemical sensors is one of
the most important areas of research. The present study is focused on the synthesis and application of
solar reduced graphene oxide (SRGO) as a selective, stable and sensitive electrocatalyst for the
electrochemical detection of Paracetamol. Solar reduced graphene oxide (SRGO) exhibits high
recognition ability towards Paracetamol, leading to a significant improvement in the sensitivity. The
trace amounts of Paracetamol are quantitated by employing differential pulse voltammetry (DPV)
offering excellent sensitivity with amplified net current and suppressed background noise. Under
optimized conditions, the wide linear calibration range is observed for Paracetamol with low detection
limit and high sensitivity. The stability, reproducibility and interference effects are demonstrated to
confirm the reliability of the proposed sensors. The applicability of the present methodology is
successfully assessed by quantification of Paracetamol in the pharmaceutical samples with satisfactory
recovery, illustrating promising analytical applications.
Investigation on Carbon Emissions from Cooking with the Use of LPG in India
Ajayan T S
Maulana Azad National Institute of Technology Bhopal
Abstract: The third most significant mortality risk factor for Indians and the fourth most important
globally is household air pollution from inefficient burning of solid biomass, which is responsible for
4.3 million premature deaths annually. Similar to industrial activities traditional cooking practices have
a greater impact on deforestation and air pollution. According to CEEW (Council of Energy,
Environment and Water) around 54% of households in India, either entirely or in combination with
LPG, still use traditional solid fuels. Cooking with conventional solid fuels including firewood, dung
cakes, agricultural waste, charcoal, and kerosene exposes these households to more indoor air pollution
and worsens their health problems.
Our empirical findings confirm that the increasing use of clean cooking energy such as LPG is helping
in controlling the household GHG emissions in India. Among other variables, per capita energy use and
urban population are enhancing the GHG emissions in this set of nations. The variable trade openness
is also another factor that enhances GHG emissions and thus, it is the time to mend the production
process and shift towards the renewables energy based production.
The energy required for cooking is a major part of household energy needs and thus, LPG appears to
be a significant factor in controlling household emissions. It is therefore, under a policy framework
perspective, we suggest to popularize the use of LPG more in order to further reduce GHG emissions.
A Study on Gas-Sensing Performance of Metal Oxide Nanostructures for Detecting NH3

Yusuf Wali, Subhra Priyadarshini Behura, Vivek Chandel, Abhinav Bhargav, Fozia Z. Haque*
Optical Nanomaterials Lab, Department of Physics, MANIT, Bhopal, 462003, India
E-mail: foziazia@rediffmail.com
Abstract: The occurrence of numerous dangerous gases which have been linked to being an affliction
to human life inside an environment, stimulated a need for trustworthy gas sensors, featured with high
stability, adjustable dependability, great selectivity and the capability to identify various harmful gases.

Semiconductor Metal Oxides are reportedly the quintessential candidates with great potential and
excellent performance in gas sensing applications. In this work, a review of unique properties of the
TiO2, ZrO2, ZnO and V2O5 nanoparticles, like their large specific surface area, high exciton binding
energy, high electron mobility, excellent thermal and chemical stability, wide band gap, high thermal
expansion coefficient, and high ionic conductivity, making them promising materials for gas detection,
has been presented. This review also includes a comparative account of various parameters which
contributes to alter the gas sensing response and effectiveness of the sensors, such as synthesis
technique, particle size, morphology, doping and their concentration. The latter part of the review
includes a comparative analysis of the aforementioned metal oxides in reference to their efficiency to
detect ammonium (NH3) analyte.
Photocatalytic applications of ZnO coated Fe3O4 nanocomposite under UV light

Anand Kumar Vishwakarma, Bhim Sen Yadav, Anchal Kishore singh, Sarvesh Kumar, Naresh Kumar*
Department of Physics, Motilal Nehru National Institute of Technology Allahabad, Prayagraj, India
E-mail: nsisodia@mnnit.ac.in
Abstract: In this study, we report on the synthesis of Zinc oxide (ZnO) coated magnetite (Fe3O4)
[ZnO/Fe3O4] nanocomposite and their photocatalytic applications. For the synthesis of ZnO/Fe3O4
nanocomposite, ZnO nanoparticles were coated by solvothermally prepared Fe3O4 nanoparticles using
mechanical stirring. The X-ray diffraction patterns confirm the pure phase of ZnO/Fe3O4
nanocomposite. The fourier transform of infrared (FTIR) band for the ZnO/Fe3O4 nanocomposite
appeared at 486 cm-1 and 3408 cm-1 belongs to Zn-O and H-O stretching authenticating the ZnO
coatings on Fe3O4. Further, the saturation magnetization as calculated using magnetization versus
applied magnetic field (M-H) hysteresis curve was recorded 60 emu/g for Fe3O4 reduced to 24 emu/g
for ZnO/Fe3O4 nanocomposite. The 60% reduction in saturation magnetization was due to diamagnetic
contribution of ZnO. The photocatalytic properties of the ZnO/Fe3O4 nanocomposite were investigated
through degradation of methyl orange (MO) dye. The photocatalytic performance of nanocomposites
was found 84 % under UV light irradiation with the reusability of 60 % after 4 cycles.
Piezocatalytic, photocatalytic and piezo-photocatalytic activities of Sr-doped Barium

Titanate ceramics in degradation of organic dye
Ankit Kumar Singh, Mukesh Kumar Yadav, Deepti, Montek Mohapatra and Partha Sarathi Mondal*
Department of Applied Sciences and Humanities, National Institute of Advanced Manufacturing Technology, Ranchi
834004, India
*psmondalmbox@gmail.com
Abstract: Piezocatalysis based advanced oxidation process (AOP) has been emerged as a promising
approach for wastewater treatments under the action of mechanical vibrations. The piezocatalytic
reaction mechanism so far conceived as an analogue to those in photocatlysis. External stress caused
by acoustic field induces bulk polarization that enables redox reaction to occur at different locations of
the catalyst and piezo-generated electrons and holes can initiate AOP. In present study, we report the
piezocatalytic and photo-piezocatalytic activities of strontium doped barium titanate (BST) ceramics.
The catalytic activities of BST are estimated in terms of organic dye degradation efficiency. The BST
ceramics were prepared via conventional solid-state reaction and characterized. Ultrasonic agitation (20
kHz, watt) and UV radiation (360 nm,250 W) are used to trigger the piezocatalytic and photocatalytic
activities of BST semiconductor piezo-ceramics, respectively. The piezocatalytic and photocatalytic
dye degradation efficiencies of BST are found to be 12 % and 92 %, respectively. BST shows highest
dye degradation efficiency of ~94 % when photo-piezocatalytic activity of it, is triggered

simultaneously by ultrasonic agitation and UV irradiation. The reaction rate constant, k~0.0587min-1 is
also found to be the highest for photo-piezocatalytic process which is higher than sole piezocatalytic
and photocatalytic activity.
LaFe1-xCoxO3 (X=0, 0.01): a novel photo-Fenton catalyst for the degradation of organic
pollutants under visible light irradiation.
Anupriya James 1*, J D Rodney1, Manojbabu A1, N.K Udayashanakr 1
1*
Department of Physics, National Institute of Technology Karnataka, Surathkal P.O., Shrinivasnagar, Karnataka
575025, India
Abstract: Perovskite nanoparticles have recently generated a lot of interest due to their stability and
excellent potential for treating harmful organic effluents in light of growing environmental crisis
concerns. Herein, visible light-induced photo-Fenton degradation of Methylene blue (MB) is evaluated
for the first time using one-pot combustion-derived porous LaFeO3 (LFO) and Co-doped LaFeO3
(LaFexCo1-xO3) catalysts. The cobalt incorporation has significantly enhanced the efficiency of
photocatalyst from 67.75% (LaFeO3) to 93.85% (LaFe0.99Co0.01O3) for MB after 180 minutes of light
(λ>400 nm) irradiation. The rate constants calculated via the pseudo-first-order kinetics mechanism are
found to be 0.00532/min for LFO, and 0.01476/min for LaFe0.99Co0.01O3 correspondingly. The high
catalytic performance of the samples can be attributed to the porous nature with a high surface area.
The prepared samples are characterized using, XRD, FESEM, EDAX, BET surface area analysis, UV-
Visible DRS spectroscopy, and PL spectroscopy. The amount of •OH radical generated is studied by
performing Photoluminescence (PL) spectra of Terephthalic acid (TPA) in the presence of synthesized
catalysts. Moreover, LaFe0.99Co0.01O3 exhibited high cyclic stability towards photo corrosion.
Photodielectric Effect in Ferroelectrics with Instrinsic Defects

Montek Mohapatra, Ankit Kumar Singh, Deepti, Arvind Pandey, *Partha Sarathi Mondal
Department of Applied Science and Humanities, National Institute of Advanced Manufacturing Technology, Ranchi,
India
E-mail: psmondalmbox@gmail.com
Abstract: Photo-dielectric (PD) effect refers to a change in capacitance that is observed when the
dielectric of a capacitor is illuminated with suitable photon energy. Intrinsic defects present in the
sample plays significant role in controlling the PD effect since trapping (loosely bound) of photo-
generated carriers gives rise to abnormally high defect polarization. In this study, we have investigated
PD effect in ferroelectric system with intrinsic defect which is introduced by chemical doping. Barium
titanate (BT), sodium substitute bismuth and sodium substituted barium titanate (BNT-BT) and bismuth
and lithium substituted barium titanate (BBLT) systems are chosen to investigate PD effect. The
capacitance and dielectric loss were measured as function of photon intensity (varying LED drive
current) and photon energy (using LEDs of different wavelengths) at room temperature and photon
induced dielectric tunabilty (Δε) is estimated. The dielectric tunability for BNT is ~ 0.96 %, 0.93 %,
0.98 % and 1.8 %, and for BBLT was 0.93 %, 0.91 %, 0.98 %, 1.877 % for LEDs with photon
wavelength of λ=395 nm, 450 nm, 550 nm, 630 nm, respectively. The observed result is correlated with
intrinsic defect concentration introduced by doping and light induced defect polarization.

A Review of TiO2:ZnO Nanocomposite as Gas Sensor

Subhra Priyadarshini Behura, Yusuf Wali, Kajol Taiwade, Archana Nigrawal, Fozia Z. Haque*
Optical Nanomaterials Lab, Department of Physics, MANIT, Bhopal, 462003, India
E-mail: foziazia@rediffmail.com
Abstract: In recent years, nanocomposite of semiconductor oxide materials has attracted a lot of
attention in the realm of gas sensing due to their excellent sensing properties, abundance and ease of
manufacture. Among various oxide nanocomposites, TiO2-ZnO nanocomposites have shown great
potential due to the combined characteristics of ZnO and TiO2, which includes low cost, non-toxicity,
efficient chemical and thermal stability with wide bandgap. The aim of this study is to review the
various synthesis techniques of TiO2-ZnO nanocomposites, their structure and morphology on the basis
of various techniques such as XRD, SEM and EDX. This work will also include review about different
parameters such as sensitivity, response-recovery time, selectivity and stability towards several gases
which affects the performance of ZnO-TiO2 nanocomposite gas sensor.
Separation of Strontium ions using Surface Modified Graphene Oxide Membranes

Rini K. Vishwakarma1, Pavan K. Narayanam1,2*
1
Homi Bhabha National Institute, Training School Complex, Anushaktinagar, Mumbai-400094, India, 2Material
Chemistry and Metal Fuel Cycle Group, Indira Gandhi Centre for Atomic Research. Kalpakkam-603102, India
*Corresponding author: pavankumarn@igcar.gov.in
Abstract: In 2D materials, Graphene oxide (GO) has been widely used as a potential adsorbent for
metal ion separation, owing to the availability of large surface area and diverse oxygen functional
groups. Functionalization of GO sheets with nitrogen (N) based groups was shown to facilitate the
formation of metal ion-N complexes and enhance their adsorption capacity substantially. Present work
aims to investigate the N-functionalization of GO sheets using aniline and consequent effects on their
strontium adsorption ability. In this process, GO membranes were prepared through vacuum filtration
of GO dispersions, subjected to aniline vapours for incorporation of N-groups and the resultant changes
in Sr separation ability of membranes were examined by Flame-AES. The lateral dimensions of GO
sheets used in this work are in the range of 2-10 μm. Exposure to aniline induce substantial changes in
vibrational features of GO including, curly pattern in the hydroxyl region (3800-2200 cm-1), broadening
of sp2 carbon (~1581 cm-1), induces a new peak at ~1493 cm-1, triplet near 1087 cm-1 along with two
new peaks at ~739 cm-1 and ~689 cm-1. Further, exposure to aniline also enhances the overall GO
absorption at ~232 nm and ~285 nm. Importantly, such N functionalization was found to nearly double
the Sr adsorption capacity of GO membranes, irrespective of GO mass conditions on membrane. That
is, at limited GO mass of ~0.1 mg, aniline subjected GO membranes exhibited Sr adsorption capacity
of ~550 mg/g, while that of precursor GO membranes are limited only to ~300 mg/g.

An analysis of absorber thickness variation and ideality factor at different levels of

conduction and valance band offset.
Priyanka Roy1*, Sanjay Tiwari2 and Ayush Khare1
1
Thin Film Research Laboratory, Department of Physics, National Institute of Technology, Raipur –
492010, India
2
School of Studies in Electronics and Photonics, Pt. Ravishankar Shukla University, Raipur – 492010, India
*Corresponding author: priyankaroy.gecraipur@gmail.com (P. Roy), Ph. No. +917987237429
Abstract: The potential of Perovskite solar cells (PSCs) is witnessed by the research community within
a decade of its emergence. The leading PSC to date has high power conversion efficiency (PCE) of
25.8%. All the efficient PSCs incorporate toxic Lead (Pb), which creates hindrance in the market
acceptance of the cell. Inorganic lead free PSCs are extensively being studied as clean and green sources
of energy. The issue with lead free PSCs can be minimized by overcoming the performance gap. This
work, we analyse CsSn0.5Ge0.5I3 based PSC. We study the the photovoltaic (PV) parameters by varying
absorber layer thickness at different levels of conduction band offset (CBOs) and valance band offsets
(VBOs). We further study the phenomena of Ideality factor (IF) considering various defect densities at
different levels of conduction band offset (CBOs) and valance band offsets (VBOs). Keywords: Lead
free, Perovskite solar cells, Ideality factor, absorber thickness variation, and band offset.
Efficient State-of-the-Art Tool to Customize Carbon Nano Particle Fabrication for

Harnessing Surface Properties
Trideep Kumar Batchayan, Bipradip Chakraborty, Eeshankur Saikia*
Department of Applied Sciences, Gauhati University, Guwahati-781014, Assam, India
E-mail: eeshankur@gauhati.ac.in
Abstract: Carbon based nanoparticle (CNPs) are synthesized using a low cost state-of-the-art chemical
vapor deposition technique. Brunauer-Emmett-Teller (BET) method, the conventional surface analysis
procedure adopted and the Texture Coefficients estimated from the XRD confirm rich surface properties
of the particles fabricated. In order to cut down the cost of the devices / products to be developed, such
as, sensors and/or dehumidifiers from these Carbon NPs, tools of Non-linear Dynamical Theory and
Fractal Analysis are used in this work where it is shown that only the XRD data may be good enough
to decide on the input parameters controlling the fabrication environment conforming to the required
output surface characteristics for developing the desired products.

Materials for Strategic and Societal Applications (MSSA)

Innovative 3D Woven Structures for Automotive Seat Cover
Ashok Kumar Shriwastawa1,2 & B. K. Behera1
1
. Focus incubation centre for 3D weaving and structural composites
Department of Fiber & Textile Engineering, Indian Institute of Technology Delhi
2
. Government Polytechnic, Kuru, Pindra, Varanasi
Corresponding author: shri5001@gmail.com OR ashok5001@textile.iitd.ac.in
Abstract: The automobile industry is the largest user of technical textiles, with about 20 kg in each of
the 45 million cars made yearly. Every middle-size vehicle uses between 12 and 14 Kg of textile
products, without including tire cords for pneumatic and fibres which are used in composite materials.
About 65% of this quantity is used in the interior (40 to 45 m2 of textile material per car), with a weight
between 200 and 450 g/m2 for the seat upholstery. The seat is also the primary interface between man
and machine, and seat comfort is paramount. Seating systems are amongst the costliest items in the car
interior. The seat cover is assumed as a second skin between passenger and the environment. Thus, this
led to a significant amount of research in this field over the past years. In this research work, air
texturized polyester yarn was used for 3D innovative structures and conventional with the same areal
density under controlled weaving conditions to obtain exact constructional properties on a customized
loom in the industry for comparative study. The utility and comfort performances of innovative and
conventional woven structures have been investigated. From these characterizations, it is anticipated
that 3D woven innovative structures' performance is better than traditional seat covers as the textile
structure plays a vital role in deciding utility and comfort properties.
Assistive Sensors and AI based Paralytic Communication Aid Blended with Brain
Computer Interface (BCI): A Cost Effective Approach
Aditya, Chandre
Affiliation of the Author (Computer Science, Dr. APJ Abdul Kalam University, Indore, India)
E-mail: aditya.chandre@gmail.com
Abstract: Human body is one the most advanced creature who powered through sensing with great
intelligence which is human brain (Mind). By using various senses, human brain can perform various
typical tasks. Brain affects body parts and functions when encounters strokes ex. Paralysis. Around 10%
of population needs rehabilitation, some of them encountered stroke, accidents, head or spinal cord
injuries thus patients are not able to move limbs or body parts. Hemiplegia, Paraplegia and Quadriplegia
are main types of paralysis. The people with these issues face great difficulties in communication and
self controlling. There are various assistive technologies are developed to help them, but most of them
are costly or not user friendly. Still there is a need of cost effective, compact and portable assistive
technology.
We have designed customizable and cost effective novel sensors and artificial intelligence based
assistive communication and controlling system for paralytic people which is compatible with brain
computer interface. Our system can be personalized when required and the AI (artificial intelligence)
agent not only supports communication and controlling system but also can suggests suitable sensors
or combination of required sensors for a particular type of paralysis or multi paralysis on the basis of
paralytic person’s capabilities.

Machinability study of Ti-grade 5 and Inconel 625 alloy using coconut oil dielectric in
Maglev EDM
Sumit Kumar, Rajesh Sahoo*, Vivek Bajpai, Diptiranjan Swain
Department of Mechanical Engineering, Indian Institute of Technology (ISM) Dhanbad, India
E-mail: rajeshsahoo246@gmail.com
Abstract: Fabrication of new advanced materials has paved the way for developing modern
manufacturing techniques for product development. The current research implements the newly
developed Maglev EDM to study the machining characteristics of Ti-grade 5 and Inconel 625
superalloys using coconut oil bio-dielectric. The investigation presents a comparative analysis in terms
of machining rate, tool erosion rate, and surface roughness at discharge voltage (27 V), discharge
current (200 mA), and duty cycle (95%). The voltage-current waveforms acquired during the operation
illustrate steady and consistent discharge pulses with negligible arcing and short-circuiting. An average
MRR (1.18 mg/min) and TWR (0.095 mg/min) was achieved for Inconel 625, while MRR (0.87
mg/min) and TWR (0.072 mg/min) was achieved for Ti-grade 5. Additionally, the 3D surface profiles
of the machined regions have been analyzed to determine the average surface roughness (Ra). The Ra
value for Inconel 625 was 5.275 µm and for Ti-grade 5 was 4.593 µm using coconut oil dielectric. A
higher machining rate was achieved on machining Inconel-625 alloy, while a better surface finish was
achieved on machining Ti-grade 5 alloy.
Comfort Enhancement and Damage Minimization of Airline Passenger Seat frame

using Nitinol Insert
Kuldeep
Indian Institute of Technology Kanpur
Abstract: Shape Memory alloy (SMA), a class of Smart Memory Materials (SMM), has a very distinct
property of remembering its shape and returning back to perform on providing various stimuli like heat,
light, magnetic field etc. Because of such unique and superior nature, SMAs find widespread
applications in various domains such as aviation industry, automotive industry, biomedicine etc. and
find a rapidly growing interest among the research community. It is important to mention that in the
aerospace domain a lot of effort is made by original equipment manufacturers (OEMs) to create
passenger safety and comfort and a lot of research and development activities are carried out in using
smart and complaint mechanisms to support the seat frame. In this computational study, we focus on
the SMA integration with airlines seat frame with Nitinol inserts in Aluminum (Al) frames and study
the compliance and airworthiness of the new designs. The study consists of static structural comparison
and comparing lifetime and damages based on random vibrational fatigue using standard excitation
cycles generated from the airframe. A model seat frame is investigated and results show that adding
Nitinol inserts drastically improves the life of the seat frame and significantly reduces the damage risk
for vibrational fatigue.

Pulsed Laser Deposited Protective Coating of Zirconia on Ti6Al4V Bio-alloy for

Improved Electrochemical, Tribological and Antibacterial Properties
Sunita Kedia1, 2, *, Pushpa S. Gaikwad 3 and J. Padma Nilaya1, 2
1 Infrared Laser Section, L&PTD, Bhabha Atomic Research Centre, Mumbai 400085
2
Homi Bhabha National Institute, TSH, Anushaktinagar, Mumbai 400094
3
6/RBT colony, Mankhurd, Mumbai 400043
E-mail: skedia@barc.ov.in
Abstract: Some metallic alloys e.g., Co-Cr, Ti6Al4V and 316L SS with their inherent properties of
biocompatibility have become an integral part of dental and orthopedic applications for temporary and
permanent replacements of body parts. Since, metallic implants are mainly used for load bearing
applications under wear and corrosive conditions, measures to improve their wear and corrosion
resistance along with antibacterial properties can go a long way in enhancing the service life of artificial
implants. Properties of the surface of an implant, that is exposed to the body environment, primarily
determine its reaction and ease of assimilation and fixation in body. Alternation of the implant surface,
therefore, is a natural option to enhance its biocompatibility. Here, the experimental results of
betterment obtained in electrochemical, tribological and antibacterial properties of most widely used
Ti6Al4V bio-alloy by thin film coating of zirconia using pulsed laser deposition technique are
presented.
A notable improvement in corrosion resistance of zirconia coated sample was observed with superior
icorr (7.3 x 10-7 ~ 2.47 x 10-7 A) and Ecorr (-0.37 V ~ -0.60 V) along with steady passive current density.
Significant reduction in initial (0.18 ~0.61) and final (0.52~0.88) coefficient of friction (CoF) of the
coated sample was observed in comparison to uncoated sample. Further, the coated sample was found
to inhibit adhesion and growth of S.aureus microbial as against uncoated sample as observed in SEM
and florescent images. Hence, optimum coating of zirconia thin film has been shown to improve
corrosion resistance, wear resistance and antibacterial properties of Ti6Al4V bio-alloy simultaneously.
Design of Single Stage Distillation Column for High Purity Hydrazine – A

Monopropellant for Spacecraft Propulsion
Sakshi Singhal*, Lakshman Y, V Chitra, N Saravanan,
R Muraleekrishnan, SA Ilangovan
Vikram Sarabhai Space Centre, Trivandrum, India
E-mail: sakshi_singhal@vssc.gov.in
Abstract: High purity Hydrazine is a widely used mono propellant in the Attitude & Orbit Control
System (AOCS) thrusters of Earth Observation Spacecrafts. Current method for production of high
purity Hydrazine is by two stage distillation. This production process for anhydrous, propellant grade
hydrazine is improved through developmental trials in-house by VSSC. The newly developed process
involves enrichment of hydrazine from hydrazine hydrate (64% w/w Hydrazine) to high purity
Hydrazine (>99% w/w) by extractive distillation using an entrainer. This paper briefs the design aspects
and developmental trials carried out for production of high purity Hydrazine through single stage
distillation process. An outline of the theoretical design of a packed bed distillation column to achieve
higher concentration of hydrazine in a single step is given here.
The theoretical number of stages, HETP (Height Equivalent to Theoretical Plate), column height, type
and size of packing material, column diameter, reflux ratio etc. are calculated through set of design
equations. Fenske Underwood Gilliland (FUG) method was used to calculate number of trays to achieve
maximum separation efficiency. The new process is safe and economical to produce mono propellant
grade Hydrazine for use in space applications.


Computational Modeling and Simulation (CMS)

Role of Fluxionality and Metastable Isomers in the ORR Activity: A Case Study
Rahul Kumar Sharma
Abstract: Understanding the dynamic reconstruction of active sites and the fluxional behaviour of
subnanoclusters under realistic experimental conditions has become the heart of operando modelling
techniques. An accurate description of catalysis phenomena extends towards incorporating the activity
of thermally accessible ensembles of metastable isomers in addition to the global minima (GM).
Considering Pt13 as a model catalyst for oxygen reduction reaction (ORR), we have studied the role of
metastable isomers and unravelled their distinct catalyst dynamics leading to high fluxionality. The
different adsorption energetics and ORR activity featured by the metastable isomers reveal the
importance of addressing the fluxional behaviour of subnanoclusters. A detailed mechanistic ORR
investigation provided isomers possessing an activity comparable to GM. Furthermore, a statistical
ensemble representation demonstrates the substantial role of metastable isomers within 0.4 eV relative
energy difference from GM, with negligible activity enhancement of isomers from high energy cutoff
end. Ab initio thermodynamics-based stability analysis represents different energetics associated with
the Pt13 clusters at high oxygen coverage. This study highlights the importance of a systematic
exploration of metastable isomers for determining the cumulative catalytic activity of subnanometer
clusters.
Computational Investigation of Structure-Luminescence Activity of Organic Donor-

Acceptor-Donor Triad
Pandiselvi Durairaj†, Sunandan Sarkar*
Department of Chemistry, National Institute of Technology Tiruchirappalli, Tiruchirappalli, 620015, Tamil Nadu,
India
E-mail- ids: †pandiselvichem456@gmail.com, *ssarkar@nitt.edu
Abstract : The metal-free organic emitters having thermally activated delayed fluorescence (TADF)
character are promising candidates in OLED applications. TADF process requires efficient reverse
intersystem crossing (RISC) to harvest triplets into singlets. A recent experimental study revealed that
the PTZ-DBPHZ-PTZ exhibits conformationally switchable from the localized state (LE) to the charge-
transfer (CT) state with the substantial TADF character. We computationally explored the structure-
property relationship of those D-A-D triad conformers (i.e., Axial-Axial (AA), Axial-Equatorial (AE),
and Equatorial-Equatorial (EE) conformers). We used the time-dependent extension of density
functional theory (TDDFT) with range-separated hybrid functionals (CAMY-B3LYP) and TZP basis
sets. We have considered the scalar relativistic effect with the zero-order regular approximation
(ZORA). Our calculations reveal that the EE conformer has TADF properties due to the minimal energy
difference between the lowest singlet and lowest triplet state (ΔEST=0.11 eV), which exhibits sufficient
RISC (~107 s-1). Whereas other conformers are not TADF active because of their high ΔEST value. The
AA conformers exhibit prompt fluorescence due to strong oscillator strength, and the AE conformer
exhibits faster ISC (~108 s-1), favoring phosphorescence. Our computational study explains the tunable
luminescence characteristics of the D-A-D triad with structural control and will be helpful for the
rational design of TADF materials.

Atomistic Simulation of Absorption Spectra of Magic Sized CdSe QDs and Charge
Transfer Dynamics of CdSe QDs-Molecule Nanohybrids
Kiruthika Samuthirapandi† and Sunandan Sarkar*
Department of Chemistry, National Institute of Technology Tiruchirappalli, Tiruchirappalli, 620015,
Tamil Nadu, India
E-mail ids: † kiruthika03tn@gmail.com, * ssarkar@nitt.edu
Abstract: Photoluminescent semiconducting cadmium selenide quantum dots (CdSe QDs) have
admired tunable optoelectronic properties. In the recent past, magic-sized tetrahedral CdSe QDs have
been synthesized precisely, and their optical properties were measured. In this study, we
computationally investigated the electronic and optical properties of such tetrahedral-shaped CdSe QDs.
The electronic structure of these CdSe QDs is disclosed by employing the SCC-DFTB method.[7] We
have modelled ultrasmall atomically precise tetrahedral CdSe QDs with various sizes (average edge
length ranging from 1.34 nm to 3.22 nm) and uniform composition of ligands. The five tetrahedral-
shaped CdSe QDs with the various edge length are T0 = Cd20Se10X20L20 (1.34 nm), T1 = Cd35Se20X30L30
(1.95 nm), T2 = Cd56Se35X42L42 (2.33 nm), T3 = Cd84Se56X56L56 (2.74nm), T4 = Cd120Se84X72L72 (3.22
nm), where X=OH, L=NH3. We have also functionalized with different ligands (X=COOH and X=CN).
We employed electron dynamics by applying the Dirac-delta perturbation to simulate the absorption
spectra of QDs. While varying the size of QDs from T0-T4, the absorption spectra red-shifted from 3.96
eV to 2.91 eV, exhibiting a quantum confinement effect. Our computed absorption spectra are in
excellent agreement with the experimentally measured spectra.[8] We also investigated the photo-
induced charge transfer dynamics at the interface of CdSe QDs and molecule (Carbazole) by applying
Laser-perturbation of a sinusoidal electric field. We explained the charge transfer processes from QDs
to molecule that occurred via either electron transfer or hole transfer pathways. Our computational
simulation will be helpful for designing CdSe QDs-molecule nanohybrids for light-harvesting
applications.
Effect on Stability of GC Base Pair in Their Neutral and Ionized States: A DFT Study
Ashraf Ayub1 , Sunil Kumar Srivastava2 , Pranveer Singh1
1
Department of Zoology, Mahatma Gandhi Central University, Motihari-845401, Bihar, India
2
Department of Physics, Mahatma Gandhi Central University, Motihari-845401, Bihar, India
Abstract: The exposure of low-dose ionizing radiation leads to DNA damage is a well-known fact. A
study was conducted to analyze the effect of ionization on the stability of GC base pairs. Electron
Density Distribution Map (EDDM) obtained from optimized structures using the DFT method was
used to locate the important regions that control the hydrogen bonds in Watson– Crick (WC) DNA
dimers (guanine: cytosine (GC)). GC base pairs were studied in their neutral and singly ionized ground
states. EDDM were plotted using the equation ΔD = DCOMPLEX - ∑ all individual. Results show that
gaining or losing an electron has a similar net effect on some hydrogen bonds concealing subtle
compensations traced to EDDM. The study came up with some interesting findings such as hydrogen
bonding in Watson Crick base pairs of cationic and anionic states is not exceptionally strong, and N–
H· · · N is the most favorable hydrogen bond in both neutral and charged GC base pairs while N–
H· · · O bonds are the less favorable in GC Fcationic and anionic base pairs and not found in GC neutral
base pairs. Hydrogen bonding in Watson Crick base pairs modeled in the DNA via an EDDM approach
showed that the DNA environment increases the strength of the central N–H· · · N bond, and at the
same time decreases the strength of the N–H· · · O bond. The new methodology presented and tested
in this work, i.e. EDDM provides an efficient design tool to access and predict the type and strength of
hydrogen bonding in neutral, anionic, and cationic states of GC base pairs

Influence of Thickness Parameter on the EMI Shielding Effectiveness of CBNC in C-

Band: A Numerical Study
Prakhar Dubey, Madhur Gupta and S.I. Kundalwal*
Applied and Theoretical Mechanics (ATOM) Laboratory, Department of Mechanical Engineering, Indian Institute
of Technology Indore, Simrol, Indore 453 552, India
*Corresponding Author’s E-mail: kundalwal@iiti.ac.in
Abstract: This work deals with the investigation of electromagnetic interference (EMI) shielding
effectiveness (SE) of multiwalled carbon nanotubes (MWCNTs) based polypyrrole (PPy)
nanocomposite (CBNC) pallets for various thickness using rectangular waveguide. The waveguide is
designed using ANSYS-HFSS 2021 to obtain shielding parameters. These shielding parameters are
used to evaluate the EMI SE. The effect of CBNC pallet thickness on the EMI SE in the C-band region
(4.2 to 8.2 GHz) is investigated by varying the thickness from 1.5 mm to 4 mm. Our investigation
reveals that the maximum EMI SE due to absorption is ~84.61 dB observed at a thickness of 3 mm and
correspondingly total EMI SE is ~107.3 dB, observed at a thickness of 3 mm which shows highly
useful absorption-dominated shielding in the exceptional range. It is also observed that SE due to
absorption at a pallet thickness of 3 mm is improved by ~46.31 % as compared to the SE due to
absorption at a thickness of 1.5 mm. Our fundamental study highlights the crucial role of pallet thickness
in determining the EMI shielding capabilities and the utilization of such advance CBNC materials in
the application of aerospace, defense, and satellite communication sectors.
Design and Development of single-phase BCC Refractory High- Entropy alloys using
Machine learning and Arc Melting Approach
Naveen La, Priyanka Umrea, and Sumanta Samala#
a
Khandwa Road, Indore - 453552, Madhya Pradesh, India
Abstract: Refractory High-entropy alloys (RHEAs) represent prospective applications considering
their outstanding higher temperature mechanical properties. These properties are affected by the phase
structure. Even though advances have been made in the field of high-entropy alloy phase formation, it
still exhibits a complex and time-consuming design process. Notably, machine learning has been
recognized as a useful approach to aid material design and phase prediction. The present investigation
aims to phase prediction using classical machine learning algorithms, which include Logistic regression
(LR), Support vector machine (SVM), K-nearest neighbor (K-NN), Gradient boosting (GB), Random
Forest (RF), Decision Tree (DT), and Artificial neural network (ANN) approaches. The data were
collected from previously published literature, and generated from TC-python. This dataset consists of
around 2000 compositions along with their phases which were later used in training, testing, and
validation, and processed datasets for effective information transfer into the model. Validation has been
done based on the accuracy score and F1 score of each model. It has been identified that the Gradient
boot model has good performance with 95.3 % accuracy and 0.82 F1 scores on the test dataset as
compared with other models. The confusion matrix of the gradient boot model has projected 85 % true
positive, 10 % true negative, 1.5 % false negative, and 3 % false-positive signifying considerable model
performance. Latin Hypercubic sample techniques have been used to generate around 2000 dummy
compositions. Phase prediction has been done for all 2000 dummy compositions. From these 2000
compositions, 3 compositions have been selected which have a single-Phase BCC phase from room
temperature to a higher temperature. Vacuum arc melting has been used to develop 3 alloys in the shape
of buttons with a thickness of 10mm and a diameter of 60-70mm. Experimental cross-validation has
been carried out using X-ray diffraction for structural characterization it shows some results as machine
learning model results. (Alloy microstructures were analyzed with the use of a scanning electron

microscope (SEM) equipped with both backscatter electron (BSE) and energy dispersive spectroscopy
(EDS) detectors.).
Ultralow Thermal Conductivity and High Thermoelectric Performance of γ-GeSe:

Effects of Dimensionality and Thickness
Harpriya Minhas
Indian Institute of Technology Indore, Simrol, Khandwa Road, Indore - 453552, Madhya Pradesh, India
Abstract: Two-dimensional chalcogenide-based materials of group 14 elements are predicted as
potential thermoelectric (TE) materials, though the figure of merit (ZT) obtained requires improvement
to be commercially accessible. Herein, we have computationally modeled synthesized γ-GeSe and
reduced-dimension 2D layers (monolayer, bilayer, trilayer, and quad-layer) and subjected them to first-
principles calculations to extract essential properties of TE. The ZT values obtained for the considered
systems are found to be remarkably high (quad-layer: 2.8; trilayer: 3.1; bilayer: 3.8), at 900 K. The
dimensionality reduction and reducing layers improved the ZT considerably compared to that of bulk
γ-GeSe (0.8 at 900 K). The power factor decreases with decreasing layers, ultralow lattice thermal
conductivities (kL) are responsible for the high ZT. Ultralow kL (>1 W m–1 K–1) was observed in 2D γ-
GeSe at all temperature ranges, with the lowest kL observed in the bilayer (0.15 W m–1 K–1) and trilayer
(0.17 W m–1 K–1) at 900 K. The low kL is also supported by the presence of high anharmonicity, high
phonon scattering rates, low elastic constants, low group velocity, and low Debye temperature.
Optoelectronic Properties of Benzodifuran (BDF) Isomers: DFT/TD-DFT Studies

Vipin Kumar, Pankaj Verma and Prabhakar Chetti*
Department of Chemistry, National Institute of Technology (NIT), Kurukshetra-136119 – India
E-mail Address : chetti@nitkkr.ac.in
Abstract: The main motive of the present work is to offer thorough study of charge transport and
optoelectronic properties of all the possible isomers of Benzodifuran (BDF) for organic photovoltaic
devices. Density functional theory (DFT) calculations were performed for all possible isomers of BDF
and results are compared with corresponding experimental known isomers. Time Dependent-Density
Functional Theory (TD-DFT) is used for the calculation of the absorption and HOMO-LUMO energy
levels. Electronic excitation, ionization potentials (IP), electron affinities (EA) and reorganization
energies (hole and electron) of all the isomers are investigated. The UV-visible absorption of BDF
isomers ranges from 227 nm to 385 nm theoretically and from 218 nm to 285 nm experimentally.
Comparatively, all the BDF isomers are having low electron and hole reorganization energies and hence
they can be used in organic electronic material fabrication.

CMS-09: Solidification simulation with experimental validation of single-phase Fe-Co-

Cr-Ni-V high entropy alloy
Sandeep Jaina, Piyush Kumara Vinod Kumara, Abhijit Ghosha, Sumanta Samala#
a
Khandwa Road, Indore - 453552, Madhya Pradesh, India
Abstract: For the first time, we report here the heat transfer and solidification behaviour of Fe-Co-Cr-
Ni-V single-phase face centered cubic (FCC) high entropy alloy (HEA) by adopting synergistic
approach involving numerical simulation and experimental techniques. The present study explores the
analysis the solidification behaviour, temperature distribution within the metal casting as well as metal
casting to the mould through metal casting-mould interface and phase change during solidification. The
experimental measured hardness of studied HEA which varies from 236 ± 5 HV to 272 ± 4 HV at
particular 500g load is correlated with the simulated cooling curves. Electron Backscatter Diffraction
(EBSD) analysis reveals that the average grain size is approximately 214.3 μm. The simulated results
are in good agreement with the experimental findings. Furthermore, a comparison of the cooling curves
of studied HEA obtained by two simulation techniques is established.
Molecular dynamics simulation-based sintering behavior study of Fe-35%Ni alloys

many particles system
Sandeep Kumar Sahni, Anish Upadhyaya* , Somnath Bhowmick
Materials science and Engineering, Indian Institute of Technology Kanpur, Kanpur, India
E-mail: anishu@iitk.ac.in
Abstract: Molecular Dynamics (MD) based simulation can act as a novel tool for effectively studying
the mechanism operating during densification under different sets of sintering conditions. The initial
stage of sintering can be successfully simulated using MD. Most of the MD based sintering studies were
mainly focused on the sintering mechanism for two or three spheres. However, the two-sphere model
shows the following shortcomings (a) the important sintering parameters such as sintered density,
amount of porosity and grain size and densification parameter, etc. can’t be directly calculated (b) the
external pressure influence (c) direct comparison of sintering mechanism of two sphere model with
bulk. The MD simulation was performed on the Fe-Ni nanoparticle system to obtain the sintering
behaviour and mechanism. The mechanical strength of the sintered system was simulated. The effect
of particle size, sintering temperature, and external pressure on the sintering behaviour and mechanism
of many particles Fe-Ni systems was investigated. The results show a dependency of sintering behavior
and mechanical behavior of sintered system on particle size, temperature and external pressure.

Comparative Analysis of Hydrogen Sorption in Large-Sized Single-Walled Carbon

Nanotubes and Multi-Walled Carbon Nanotubes: A Molecular Dynamics Study
Saurabh Mishraa, S.I. Kundalwala*
a
Applied and Theoretical Mechanics (ATOM) Laboratory, Discipline of Mechanical Engineering, Indian Institute
of Technology Indore, Simrol, Indore 453552, India
E-mail: kundalwal@iiti.ac.in
Abstract: Recent nanomaterial advancements have resulted in a breakthrough in energy storage and
hydrogen carrier technologies. The hydrogen adsorption metrics of single-walled carbon nanotubes
(SWCNT) and multi-walled carbon nanotubes (MWCNT) at temperatures of 77 andly investigated
using molecular dynamics simulations. This study sheds light on the hydrogen adsorption mechanism
of large-sized CNTs at pressures ranging from 0.1 to 10 MPa. Furthermore, the effect of interwall
spacing in MWCNT has been analysed and discussed using adsorption isotherms to highlight key
features. At 77 K and 10 MPa, SWCNT can store molecular hydrogen with a maximum gravimetric
density of 8.33 wt.%, compared to 6.56, 4.55, and 3.18 wt.% for MWCNT, whereas the storage capacity
is less than one wt.% at 300 K. Moreover, the interlayer spacing in MWCNT is found to have a
significant influence on the system gravimetric capacity, and the larger the interior space, the greater
the adsorption. However, increasing the number of interlayers in MWCNT, on the other hand, reduces
storage capacity. As a result, our findings suggest that SWCNT and MWCNT have a promising
potential for hydrogen storage applications and, with structural modifications, could meet the US
Department of Energy's benchmark.
First-principles study of electronic and thermoelectric properties of NiYAs half-Heusler

compound
Viren Tyagi, Mani Bhardwaj, Deepika Shrivastava, and Rajnish Kurchania
Functional Nanomaterials Laboratory, Department of Physics, Maulana Azad National Institute of Technology
(MANIT), Bhopal, MP, 462003, India
E-mail: virentyagi16@gmail.com
Abstract: In the present work we have investigated the electronic and thermoelectric properties of
NiYAs half-Heusler (HH) compound. The calculations have been performed by the means of density
functional theory (DFT). The calculated electronic properties show the semiconducting nature of
NiYAs HH compound in cubic MgAgAs-phase. Thermoelectric properties such as electrical
conductivity (σ/τ), Seebeck coefficient (S), and figure of merit (zT) were calculated and these
parameters show that NiYAs is a potential material for thermoelectric applications.
Strong topological behavior in Mercury Telluride: estimated from first principles

calculations
Suneetha N, and Kartick Tarafder*
National Institute of Technology, Karnataka, India.
E-mail: suneethan1998@gmail.com; karticktarafder@gmail.com
Abstract: Topological Insulators(TI) are the exotic states of matter, the topology of these materials is
responsible for the difference in the properties from bulk to surface in 3D, and surface to edge in 2D.
The prediction of new topological insulators and their topological study is in high demand in spintronics
application. Most of the reported work is based on the CdTe/HgTe/CdTe quantum well structure and
its robustness towards the time-reversal invariant perturbations but the detailed study of parent material
the Mercury Telluride is yet to be explored in more detail. In this presentation, I shall discuss the

interesting topological behavior of Mercury Telluride estimated from the first principles calculations
using maximally localized wannier function. We recently obtained quantized intrinsic spin hall
conductivity in Mercury Telluride shows a prominent transverse conductivity plateau up to 0.69 eV
which is higher compared to other materials. Theoretically calculated different components of spin hall
conductivity tensor and the spin hall berry curvature in this system along with the strong topological
nature determined by means of Z2 invariant calculations will also be discussed.
A novel approach for training a machine learning algorithm for microstructural phase
segmentation
Nikhil Chaurasia1*, Shikhar Krishn Jha2, Sandeep Sangal1
Materials Science and Engineering, Indian Institute of Technology, Kanpur, India
nikc@iitk.ac.in
Abstract: Steel properties are highly influenced by the morphology of the phases constituting its
microstructure. As a result, it is critical to precisely segment the microstructure into its individual
constituents. Such work is either performed manually (where judgment might be subjective and time
consuming) or via typical image processing techniques, which are often lead to inaccurate
segmentation. Alternatively, segmentation of microstructures can be performed using machine learning
(ML) algorithms. In the present work, Random Forest algorithm was used for the segmentation of
ferrite-pearlite microstructures. However, generally such algorithms require a fairly large number of
microstructures, which are generally difficult to obtain. Therefore, synthetic single phase
microstructures were simulated which followed Avrami kinetics. Then, by overlaying ferrite-pearlite
cropped images on the synthetically produced single-phase microstructures as templates. Thus, a large
number of synthetic ferrite-pearlite microstructures were obtained. These microstructures were used to
train a Random Forest algorithm. We have devised an ensembled method in which the the features were
extracted using a set of different filters like Canny, Harris, Laplacian, and Gabor. The features were
used to train a Random Forest algorithm . The results obtained from the ML model were found superior
to the conventional phase quantification manual annotation and typical image processing methods.
Materials, Design and Analysis of Thin Film Bulk Acoustic Resonator (FBAR) Filter for
RF Applications
Poorvi K. Joshi*1 , Meghana A. Hasamnis2
Department of Electronics Engineering, Shri Ramdeobaba College of Engineering and Management, Nagpur,
India1,2
joshipk@rknec.edu*
Abstract: Since two decades, research on piezoelectric MEMS FBAR resonators has advanced significantly in a
number of areas, including packaging, material engineering, monolithic integration, device and system design,
micro/nanofabrication methods, and device and system design. Radio frequency transmission, inertial sensors,
infrared sensors, environmental monitoring modules, energy harvesters, etc. all rely on piezoelectricity-based
frequency selective resonant tanks. To improve the performance of the aforementioned module, it is essential to
know the principles of FBAR resonator design, material selection, and performance enhancement techniques.
Since the form of the resonator mode greatly affects the characteristics of the device, appropriate modes and thin-
film material configurations can be selected depending on the required frequency, application, and power budget
constraints. A summary of the numerous acoustic and material engineering techniques to improve the resonator's
figure of merit has also been provided in addition to the device modelling. The potential applications for
piezoelectric MEMS FBAR in the future are extremely diverse and include things like quantum computation, 5G
connectivity, frequency combs, gesture sensors, photonics integration etc. Simulation results shows that designed
FBAR resonate at 5G with good return loss and Q-factor.


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OUR SPONSORS

SCIENCE & ENGINEERING RESEARCH BOARD (SERB)

Council of Scientific & Industrial Research (CSIR)

December 14 – 16, 2022

© MEMS IIT Indore

Prof. Suhas S. Joshi

Prof. M. Okazaki Prof. B.S Murty Prof. Ashok K Ganguli

Prof. Vijayamohanan K Pillai

Prof. Rajesh Prasad Prof. Sung Hun Jin

icfme2022.iiti.ac.in i Abstract Book

Prof. Ajay Kumar Kushwaha Prof. Nisheeth Kumar Prasad

Prof. Dhirendra K. Rai Prof. Vinod Kumar Prof. J. P. Murugesan

Prof. R.S. Maurya Prof. Sumanta Samal Prof. Hemant Borkar

Mr. Shubham Verma,

icfme2022.iiti.ac.in iii Abstract Book

STUDENT ORGANIZING COMMITTEE

Lokanath Mohapatra Gopi Talluri Nilima Sinha

Piyush Kumar Ankush Marodkar Subhash Yadav

Mayank Singh Shrish Nath Upadhyay Hitesh Patil

Gokul M Pillai Naveen L M S V Ramanan

Niraj Saini Vernika Gautam

icfme2022.iiti.ac.in v Abstract Book

MESSAGE FROM THE DIRECTOR

Professor Suhas S. Joshi (FINAE, FNASI, FASME)

Professor Suhas S. Joshi

icfme2022.iiti.ac.in vii Abstract Book

Namaste, I extend a warm welcome to distinguished speakers, eminent participants, and

With best wishes

Prof. Ajay Kumar Kushwaha

icfme2022.iiti.ac.in ix Abstract Book

SN CONTENTS PAGE No.

icfme2022.iiti.ac.in xi Abstract Book

iii Contributed Papers: Abstracts 16

icfme2022.iiti.ac.in xii Abstract Book

Adarsh Preparation of rutile nano-titania from micron size anatase

icfme2022.iiti.ac.in xiii Abstract Book

Ankush S. Microstructure and tensile properties of AZ91 alloy with

iii(b) Mechanics of Materials 41

icfme2022.iiti.ac.in xiv Abstract Book

Vartika Barium titanate-based, lead-free ceramics of different

icfme2022.iiti.ac.in xv Abstract Book

Anand Kumar Photocatalytic applications of ZnO coated Fe3O4

icfme2022.iiti.ac.in xvi Abstract Book

Sandeep Molecular dynamics simulation-based sintering behavior study

icfme2022.iiti.ac.in xvii Abstract Book

Prof. Pravat Kumar Giri

Title: Heterostructures of Two-Dimensional Layered Materials: Intriguing Photo-

Prof. Koushik Biswas

Title: Li-Ion Battery (LIB) Materials: Design guidelines and state-of-the-art

icfme2022.iiti.ac.in 1 Abstract Book

Prof. Tapas Laha

icfme2022.iiti.ac.in 2 Abstract Book

Prof. Tarun Kumar Kundu

Title: Photocatalytic Abatement of Water Pollutants by Li/P-g-C3N4 Nanosheet: An

Dr. Mohit Sharma

Title: Advanced Composite Technologies: Interfacial Strengthening, Sustainability and

icfme2022.iiti.ac.in 3 Abstract Book

Prof. Gandham Phanikumar

Prof. Yogendra Kumar Mishra

Title: Tetrapods based Smart Materials for Advanced Technologies

icfme2022.iiti.ac.in 4 Abstract Book

opportunities in the direction of 3D nanomaterials engineering and accordingly advanced technological