Acs Spring 2020 Expo 3292689 - 2

Synthesis of Cost-Effective Perovskite
Crystals-An Emerging Attractive

Alternative to Silicon Solar Cells
Swapana S. Jerpoth1, Emmanuel A. Aboagye1,Joseph Iannello2, Kirti M. Yenkie1*
Rowan University, Glassboro, NJ
Sustainable Design and Systems Medicine Lab
Group Website: https://yenkiekm.com/
Email: yenkie@rowan.edu
© 2020 Rowan University, All Rights Reserved

Harvesting Solar Energy
• Nearly 4 million exajoules of solar energy reaches the earth annually
• Still, it contributes only 2.2% to global power generation
• Mainly, due to the high cost of fabrication of the device
• Harvesting solar energy more economically and efficiently has always
been an area of interest
https://medium.com/@alishbai734/silicon-nanoparticles-perovskite-solar-cells-our-
future-b9736d408444 [1] Ref
(Kabir et al., 2018)
[2] Ref (BP Statistical Review, 2019)
Sunday, March 29, 2020 © 2020 Rowan University, All Rights Reserved 2
Perovskite Solar Cells
• Structurally, defined with the stoichiometry of
ABX3. (A and B are cations and X is an anion)
• Remarkable progress in efficiency since inception
• From 3.8% in 2009 to >26% in 2020
• A majority of perovskite solar cells reported so far
www.sciencemag.org/news/2019/04/marrying-two-
typically consist of the following combination types-solar-cells-draws-more-power-sun
(Cs/MA/FA)Pb( IxBry)
[1] Ref (NREL, 2020)
Stability of Perovskite
• Dimensionless descriptors proposed by Victor Moritz Goldschmidt
𝑅𝐴 +𝑅𝑋
• Tolerance factor, 𝑡 =
2(𝑅𝐵 +𝑅𝑋 )
𝑅𝐵
• Octahedral factor , µ =
𝑅𝑋
c
c
b
b b
a a
a
Cubic: a = b = c Orthorhombic: a ≠ b ≠ c
Tetragonal: a = b ≠ c
Challenges in Large Scale
Commercialization
• Poor stability of the device in severe
environmental conditions
• Continuous efforts by researchers to
achieve better stability devices
• Improvisations to composition and device
structure
However, there has been very little study

of potential alternatives for sites A, B, and
X in the device structure.
https://onlinelibrary.wiley.com/doi/full/10.1002/adfm.201808843
Overview of the Work
Explore new organic-inorganic analogs for site A, B, and X in the device structure
Optimizing the Selection
Process
𝑛! 𝑛! 𝑛! Cation A Cation B Anion X
* * Ammonium Bismuth Bromide
𝑛−𝑟 ! 𝑟! 𝑛−𝑟 ! 𝑟! 𝑛−𝑟 ! 𝑟!
Hydroxylammonium Calcium Fluoride
15! 15! 9!
= ∗ ∗ 9−1 !1! Methylammonium Indium Selenium
15−1 !1! 15−1 !1!
Hydrazinium Mercury Sulphur
=2025 Azetidinium Palladium Tellurium
Formamidinium Strontium Formate
Imidazolium Magnesium Chloride
Dimethylammonium Lithium Iodide
Ethylammonium Gallium Oxygen
Guanidinium Iridium
Tetramethylammonium Lanthanum
Thiazolium Cobalt
3-Pyrollinium Cadmium
Tropylium Lead
Tert-butylamine Tin
Ref (Kieslich et al., 2015, 2014)
Designing the Selection Process
• Create a database of information
• Calculate the stability factors for all possible combination
• Select the combinations within the ideal range
• Pull out the combination with the optimum cost (minimum cost)
Evaluation Framework
ABX3 at an
optimum
cost
Generalized Selection
Approach
• Motivating case study is

developed
• Three ions each for site A, B,
and X are selected
• Tree representation
approach is used to simplify
the developed optimization
problem
Optimal Selection Path
• The model was extended to all possible combinations of A, B , and X
• Yet again, each combination was evaluated to determine which would
create the minimum cost
Ammonium Magnesium
Formate
Ammonium Lithium
Formate
Hydroxylammonium Tin
Sulphur
Summary
• Presented here is an optimization problem that attempts to find an optimal
perovskite based on Goldschmidt stability factors and simultaneously minimizes
cost
• Using GAMS and MATLAB stability factors for over 2000 combinations of
perovskites were calculated
• By using the associated cost cheapest combination was obtained
• The mathematical model presented in this study can provide an excellent
starting point for exploring the undiscovered combination of materials for
perovskite solar cell synthesis
Future Work
• To provide a more realistic dimension to the model, possible feasible
constraints may be considered using the energy levels of the associated
compounds
• Furthermore, additional constraints such as efficiency, safety, and
environmental concerns can also be added which will allow for multi-
objective function analysis
https://cmo.adobe.com/articles/2018/6/cwtk-what-will-the-work-place-of-the-future-look-like.html#gs.1yq1yy
References
• BP Statistical Review of World Energy (2019)
https://www.bp.com/en/global/corporate/energy-economics/statistical-review-of-
world-energy/renewable-energy.html.html#solar-energy
• Kieslich, G., Sun, S., K. Cheetham, A., 2015. An extended Tolerance Factor approach
for organic–inorganic perovskites. Chemical Science 6, 3430–3433.
https://doi.org/10.1039/C5SC00961H
• Kieslich, G., Sun, S., K. Cheetham, A., 2014. Solid-state principles applied to organic–
inorganic perovskites: new tricks for an old dog. Chemical Science 5, 4712–4715.
https://doi.org/10.1039/C4SC02211D
• Kabir, E., Kumar, P., Kumar, S., Adelodun, A.A., Kim, K.-H., 2018. Solar energy:
Potential and future prospects. Renewable and Sustainable Energy Reviews 82, 894–
900. https://doi.org/10.1016/j.rser.2017.09.094
• National Renewable Energy Laboratory (NREL) (2020) https://www.nrel.gov/pv/cell-
efficiency.html (accessed 02.12.20).
Thank You!
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Synthesis of Cost-Effective Perovskite

Crystals-An Emerging Attractive

© 2020 Rowan University, All Rights Reserved

[1] Ref (NREL, 2020)

However, there has been very little study

Ref (Kieslich et al., 2015, 2014)

• Motivating case study is

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