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Phys. Status Solidi B 2022, 259, 2100562 2100562 (1 of 8) © 2022 The Authors. physica status solidi (b) basic solid state physics
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Figure 1. Schematic diagram of the review. In contrast to traditional TMDs, Janus TMD monolayers have a
chemical formula MXY (M ¼ Mo, W; X, Y ¼ S, Se, Te). As shown
in Figure 3a, the transition metal layer in Janus TMD monolayer
2. Recent Progresses of 2D Janus TMD is sandwiched by two distinct chalcogen layers. Compared to
conventional 2H-phase TMDs, the space group is transformed
Monolayers from D3h to C3v. The vertical symmetry broken originates from
2.1. Synthesis of 2D Janus TMD Monolayers the electronegativity difference of X and Y atoms will give rise to
an intrinsic EF. Therefore, a variety of additional electronic,
Janus TMD monolayers were first synthesized in 2017 with two optical, and catalytic features will be unlocked, offering new
different strategies. One proposed to utilize a modified MoS2 opportunities for future applications.[27]
whose top S layers are substituted by H and followed by Se
powders vaporizing to achieve selenization. The H2 plasma 2.2.1. Rashba Effect
power and the selenization temperature play key roles in these
processes.[21] The other method starts from the MoSe2 Strong SOC is one of the most representative characteristics of
monolayer, followed by well-controlled sulfurization of the top semiconducting 2D TMDs, which is a relativistic effect that
Se layer (Figure 2a). To ensure top Se atoms are replaced, while describes the spin splitting under an effective magnetic field.[28]
the Se atoms remain intact, appropriate temperature and pres- The SOC effect together with IP inversion asymmetry in TMD
sure are essential.[22] Both synthetic approaches result in uni- monolayer generates an effective Zeeman field, leading to oppo-
formly distributed asymmetric structure, paving the way for site spins at the þK and K points of the momentum space. The
future applications. Recently, pulsed laser deposition (PLD) valley polarization could be applied to encode information.[29]
has been explored to implant Se clusters with low kinetic energy Due to the unique roles in locking the spin and valley degree
(<10 eV atom1) into WS2 monolayer (Figure 2b). By controlling of freedom, Ising SOC shows great potential in valleytronic
the kinetic energy, complete top sulfur layer replacement by sele- and optoelectronic devices. However, in conventional TMD
nium can be achieved, forming high-quality WSSe monolayers at monolayers, Rashba SOC would not arise due to the protection
300 C. These findings provide insights to extend the synthesis of of OOP mirror symmetry. Interestingly, it can appear in gated
Figure 2. a) Schematic diagram of the synthesis of the MoSSe with vapor deposition (CVD) methods starting from MoSe2. Reproduced with permis-
sion.[22] Copyright 2017, American Chemical Society. b) The synthesis of Janus WSSe by PLD. Reproduced with permission.[25] Copyright 2020, American
Chemical Society. c) Working scheme of SEAR process. Reproduced with permission.[26] Copyright 2020, Wiley-VCH.
Phys. Status Solidi B 2022, 259, 2100562 2100562 (2 of 8) © 2022 The Authors. physica status solidi (b) basic solid state physics
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Figure 3. a) Structures of Janus TMD monolayer MXY (M ¼ Mo, W; X ¼ S, Se, Te). b) Spin texture of VBM around the Γ point, c) calculated band structure
with SOC, and d) schematic view of Rashba effect around the Γ point in WSSe monolayer. Reproduced with permission.[34] Copyright 2018, American
Physical Society. e) A schematic illustration of piezoelectricity in Janus TMD monolayer. Reproduced with permission.[39] Copyright 2017, American
Chemical Society. f ) Schematic diagram of the electron and hole wave functions for Janus MSSe. Reproduced with permission.[42] Copyright 2021
American Chemical Society.
TMDs or Janus TMDs,[29–31] and lead to a plethora of new dis- studies demonstrated the strong piezoelectric response in
coveries and useful applications.[28] It is commonly expressed stretched MoS2 monolayer, which is comparable to those conven-
with the Hamiltonian H R ¼ αR ðσ kÞ ⋅ ẑ, where αR , σ, and k tional piezoelectric materials, such as α-quartz, AlN, and ZnO,
denote Rashba parameter, electron's spin, and the electron implying the potential in energy and electric applications. The
momentum, respectively.[32,33] The value of αR is normally used piezoelectric field, together with exciton properties in MoS2
to measure the Rashba strength. By first-principles investiga- monolayers, may extend their optoelectronic applications.
tions, it is found that in addition to valley coupling and However, the piezoelectric responses are mainly obtained within
Zeeman-type spin, the Rashba-type spin splitting (Figure 3b– the basal plane, ruling out the vertical operation mode.
d) can be observed around the Γ point in Janus TMD monolayers. Strikingly, Shenoy et al. unveiled the OOP piezoelectricity in
The IP spin rotation pattern shown in Figure 3b confirms the Janus TMD structures (Figure 3e). The piezoelectric effect in
Rashba-type spin polarization. The Rashba parameter αR is Janus MXY can be described by eil and dil tensors:
sensitive to the SOC strength. Therefore, the splitting magni-
tudes depend on their constituent elements. For example, t 0 1
e11 e11 ⋅ ⋅ e15 ⋅
he calculated αKR values for MoSSe and WSSe are 77 and B C
158 meV, respectively. This can be understood by the larger eil ¼ @ ⋅ ⋅ ⋅ e15 ⋅ 0.5e11 A (1)
SOC of W atom than Mo. Moreover, the Rashba effect e31 e31 e33 ⋅ ⋅ ⋅
could be controlled by external strain, EF, and charge
doping.[30,34–36] For instance, in WSeTe, it is observed that a 0 1
d11 d11 ⋅ ⋅ d15 ⋅
small strain (2%2%) can substantially change the Rashba B C
SOC (50%50%) by modulating the W–Se interaction. The dil ¼ @ ⋅ ⋅ ⋅ d15 ⋅ 2d11 A (2)
orbital selective external potential method further revealed that d31 d31 d33 ⋅ ⋅ ⋅
the change of W-dz2 and Se-pz orbital overlap played a key role
in controlling the Rashba SOC.[30] The high values of e31/d31 in Janus TMD monolayers indicate
the remarkable vertical piezoelectric effect. Even though the ver-
2.2.2. Vertical Piezoelectricity tical piezoelectric polarizations are much weaker than that of the
IP piezoelectricity for monolayers, as indicated by the values of
Large vertical piezoelectric polarization is another remarkable e33/d33, they can be dramatically enhanced in multilayers due to
feature of Janus TMDs. It is known that 2D piezoelectric materi- the vertical strain.[39] As revealed by the theoretical results, the
als can offer applications in energy harvesting, actuator, sensors, enhancement of vertical piezoelectricity could also be realized
and medical industries.[37,38] For instance, the experimental by interlayer sliding in Janus TMD bilayers. The strong vertical
Phys. Status Solidi B 2022, 259, 2100562 2100562 (3 of 8) © 2022 The Authors. physica status solidi (b) basic solid state physics
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piezoelectricity in Janus TMD structures will greatly expand the 2.3. Promising Applications of Janus TMD Monolayers
application's scope.[40]
2.3.1. Sensors
2.2.3. Photovoltaic Properties
Due to the intrinsic dipole, which can either enhance or weaken
In the Janus TMD monolayer, the built-in vertical EF due to the the gas adsorption depending on the polarization direction,
asymmetry can weaken the excitons’ binding strength. The Janus TMDs exhibit unique potential in sensors. For example,
strong Coulomb screening and reduced wave function overlap Jin et al. proposed MoSSe as an ideal material for gas sensing
between the e–h caused by the EF will significantly reduce the by first-principles calculations.[43] After examining the adsorption
recombination process and prolong the exciton lifetime. By performance of the typical gas molecules, including NH3, NO,
time-domain density functional theory (DFT) calculations, Jin NO2, CO, and CO2, on Janus MoSSe monolayer, they found that
predicted that the exciton lifetime in Janus-MoSTe monolayer N-based gases and C-based gases prefer to adopt chemisorption
can be up to 1.31 ns.[41] Up to date, some appealing features and physisorption, respectively (Figure 4a). Compared to S-layer,
of Janus TMDs as predicted from theoretical simulations have the binding strengths of these molecules are much stronger on
been verified in experiments. For instance, transient absorption Se-layer. The adsorption behavior can be effectively controlled by
results showed that the excitons are 30% faster than those in tensile strain due to the distinct change of the intrinsic electro-
conventional TMDs. In addition, the radiative recombination static potential difference between the S and Se surfaces.
lifetime of excitons is dramatically longer than their pristine Moreover, other works found that the OOP polarization in
counterparts. The results are originated from the built-in dipole MoSSe makes it a universal substrate for biomolecule (such
moment, which can enhance electron–phonon interactions and as glucose and dopamine) and food adulterant (such as hista-
separate the electron and hole wave functions (Figure 3f ). These mine, formalin, and hydrogen peroxide) detecting.[44,45] These
features are beneficial for efficiency improvement and charge appealing advantages pave the way for the application of sensing
collection.[42] and detecting techniques.
Figure 4. a) The adsorption distance and charge transfer of different gas molecules on Janus MoSSe and MoS2 monolayers. Adapted with permission.[43]
Copyright 2019 The Royal Society of Chemistry. b) HER volcano including WSSe. c) Schematic illustration of band alignment and crystal field of 2H-TMD
and Janus TMD. Reproduced with permission.[50] Copyright 2018, American Chemical Society. d) Spatial distribution of CBM and VBM in WSSe mono-
layer. Reproduced with permission.[54] Copyright 2020, American Chemical Society.
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2.3.2. Applications in Hydrogen Evolution Reaction the absorption to the near-infrared region. It can also lower the
binding energy of exciton and tune the adsorption energy of H2O
TMDs have been regarded as promising low-cost catalysts. The molecules. The potential for photocatalytic water splitting was
overall catalytic performance of TMDs is deeply influenced by the also theoretically confirmed in Janus MoSSe.[55,56]
edge sites. Most attempts were focused on maximizing edge sites
or activating the basal plane, which are quite challenging as they
are relying on the precise control of the edge sharp and atomic 3. 2D Janus TMDs vdW Structures
structures.[46–48] For example, Li et al. proposed to activate the
basal layer of strained 2H-MoS2 with the S vacancies for hydro- In conventional TMDs, a direct to indirect bandgap transition
gen evolution. However, precisely controlling either S vacancy will emerge when the thickness increases due to the interlayer
concentration or strain remains a significant challenge in the orbital hybridization between the chalcogen atoms and metal
experiment.[49] In this respect, Janus TMDs can provide a unique atoms. Indeed, the interlayer interactions in vdWs structures play
solution to achieve high catalytic performance. By computation- vital roles in determining the electronic, optical properties.[57] In
ally screening a series of Janus TMDs, Shenoy and coworkers analogy to pristine TMD vdW structures, the interlayer coupling
found that WSSe monolayer can be a possible catalyst for the also has a great influence on Janus TMD vdW structures.
hydrogen evolution reaction (HER) without external strain. However, the built-in EF of Janus TMDs provides an additional
The HER catalytic performance could be further improved by degree of freedom to tune the interlayer coupling between neigh-
the presence of chalcogen vacancies (Figure 4b). The enhanced boring 2D layers, leading to new physics and applications in
catalytic performance can be interpreted for the following rea- Janus TMD vdW structures.[58–60]
sons. First, the intrinsic lattice strain and inside EF due to the
Janus asymmetry can change the crystal field and band structure. 3.1. Interlayer Coupling in Janus TMD vdW Structures
The energy of certain orbitals is affected by the Jahn–Teller dis-
tortion and pushed closer to the Fermi level (Figure 4c). Second, It is known that vdW bilayers exhibit versatile properties and pro-
the chalcogen vacancies can be introduced in gap states near the vide new possibilities for electronics and optoelectronics.
Fermi level. These new freed-up bands enable stable H adso However, the short e–h recombination lifetime as a result of
rption, which significantly improves the interaction between strong interlayer overlapping greatly hinders their applications.
H and Janus monolayer and activates the basal plane.[50] From In this respect, the Janus-MoSSe bilayer shows a unique advan-
a high-through screening of different metal atoms deposited tage. The built-in EF in Janus bilayer MoSSe can effectively
on defective MoSSe monolayer, Deng predicted the excellent separate the centers of the wave function, thus suppressing
HER performance in single Cd, Co, or Zn atom anchored on the strong interlayer coupling (Figure 5a). In this context, the
defective MoSSe.[51] Defective or non-metal atom (such as B e–h recombination time can be significantly extended. By using
atom) doped Janus TMDs also show superior performance for the nonadiabatic molecular dynamics (NAMD) technique, it was
HER due to the presence of OOP polarizations.[52,53] estimated that the lifetime for Janus bilayer can reach up to
16.5 ns.[61] It is also found that the carrier recombination in
2.3.3. Photocatalytic Water Splitting Janus-MoSSe bilayer is significantly affected by stacking orienta-
tions. Compared to S-Se/S-Se oriented MoSSe bilayers, the oppo-
Photocatalysts with a wide-spectrum solar response and high e–h site dipoles in Se-S/S-Se and S-Se/Se-S oriented bilayers will
separation efficiency are highly desirable for water splitting. significantly suppress the charge recombination due to the
Janus TMDs are envisaged to be a potential candidate owing weaker interlayer interactions.[62] The interlayer coupling tuned
to the intrinsic EF, which is beneficial for photogenerated e–h piezoelectricity of Janus multilayers is another shining example.
separation. By systematically examining the optical absorption, The theoretical studies show that the vertical lattice constant and
e–h separation, photoexcited carrier migration, and surface redox stacking sequences have a significant influence on the piezoelec-
reactions with DFT calculations, Ju et al. confirmed that Janus tric coefficient e33. The dipole–dipole interaction in vdW struc-
WSSe exhibits excellent performance for overall water split- tures may change the charge distribution of adjacent layers,
ting.[54] The bandgap of WSSe monolayer (2.13 eV from thus modulating the piezoelectric effect.
HSE06 calculations) well meets the requirement for water split- The interlayer coupling in Janus heterobilayers is also an inter-
ting, and has the optical absorbance within the visible-light spec- esting research topic. For instance, Janus MoSSe/MoS2 vdW was
trum. Especially, in this Janus structure, the conduction band synthesized from a few-layer MoS2 recently. As revealed by the
minimum (CBM) and valence band maximum (VBM) are mainly low-frequency Raman spectroscopy, in MoSSe/MoS2 hetero-
located at the Se side and the S site, respectively (Figure 4d). The structure, the interlayer coupling is greatly enhanced (up to
spatial separation can suppress the recombination of photoex- 13.2%) as compared to MoS2 bilayer. This phenomenon can
cited carriers and separate the generated O2 and H2. Due to be interpreted from the intrinsic dipole and compressive strain
the benefit of internal EF, the exciton binding energy of effect. On the one hand, the intrinsic dipole moment will induce
WSSe monolayer is smaller than its conventional counterparts the charge redistribution, resulting in reduced interlayer distance
(WS2 and WSe2), while the carrier mobility is higher, facilitating and extra dipole–Coulombic interactions. On the other hand, the
carrier separation and transfer. Furthermore, the external strain lattice mismatch between two layers would make MoSSe under a
can greatly improve the catalytic performance by controlling the compressive strain condition, which also contributes to the
intrinsic dipole. For example, the uniaxial strain could broaden enhanced interlayer coupling (Figure 5b).[63]
Phys. Status Solidi B 2022, 259, 2100562 2100562 (5 of 8) © 2022 The Authors. physica status solidi (b) basic solid state physics
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Figure 5. a) Schematic illustration of the wave-function overlaps of bilayer MoS2 and bilayer Janus MoSSe. Reproduced with permission.[61] Copyright
2019, American Physical Society. b) Illustration of built-in strain and dipole in MoSSe/MoS2 heterostruture. Reproduced with permission.[63] Copyright
2020, American Chemical Society. c) Raman spectra of MoSSe/MoS2 heterostructure related with different angles. Reproduced with permission.[67]
Copyright 2021, American Chemical Society. d) Side view of graphene/trilayer MoSSe/graphene heterostructures and corresponding projected band
structure. Reproduced with permission.[68] Copyright 2018, American Chemical Society. e) Variation of the Rashba coefficient in different stacking
as the interlayer distance modifies. Reproduced with permission.[60] Copyright 2019, American Chemical Society.
Inspired by the great achievements in twisted TMD heterobi- to expect that the OOP orbital overlap between interfacial X and
layers[64,65]and magic-angle graphene,[66] recently much attention Y atoms will affect the Rashba effects. Indeed, theoretical sim-
has been devoted to manipulating interlayer coupling by twisting ulations confirm that the Rashba effect is influenced by stacking
the angles between crystal axes. After carefully investigating the orders and interlayer distance. Take the AA-stacked MoSSe
effects of twist angle and intrinsic dipole moment in Janus bilayer for instance. In contrast to MoSSe monolayer, the
MoSSe/MoS2 heterobilayers, Huang et al. have confirmed the Rashba effect of bilayer vanishes in the range of 3.23.7 Å.
ability of the Janus structure to tune the interlayer coupling As the distance further decreases, the Rashba effect appears
and interfacial charge transfer by changing the interface compo- again (Figure 5e). This phenomenon can be interpreted by
sition and twist angle (Figure 5c).[67] the competition between the interlayer and intralayer EF, which
influences the net vertical dipole moment on Mo atoms.[60]
3.2. Potential Applications of 2D Janus TMD vdW Structures Additionally, different stacking configurations in Janus TMD
multilayers also have an influence on bandgap, dipole moment,
Stacking Janus TMD layers serves as a strategy to obtain ultrathin and carrier mobility.[70] Wang et al. theoretically predicted that
pn-junctions due to the Janus dipole effect, which presents an MoSSe/WSeTe heterostructure can be a direct Z-scheme photo-
opportunity for solar energy harvesting devices. To construct a catalytic candidate for HER.[71] DFT calculations indicate that
device, metallic leads are crucial. However, bulk metal would due to the electrostatic potential difference in Janus structure,
lead to a complete screen of built-in dipole and destroy the built-in EF would occur at the MoSSe/WSeTe interface, which
pn-junction. Using first-principles calculations, Brandbyge would suppress charge recombination and facilitate e–h separa-
et al. show that the dipole effect is preserved in the stacked tion. The NAMD indicates that photogenerated carrier transfer
Janus-graphene system, and hereby provides a promising may behave as type-II or Z-scheme path by different stacking.
method to abrupt pn-junctions (Figure 5d), which has required However, surface chalcogen vacancies can switch type-II path to
harsh conditions previously. In addition, the upper and bottom Z-scheme path effectively. More interestingly, the appearance of
graphene are strongly n- and p-doped, respectively. It indicates these defect trap states will increase the time difference between
that the Janus dipole effect could also be employed as a nonin- carrier transfer and recombination, making MoSSe/WSeTe
trusive way for graphene doping.[68] vdW structure a highly promising direct Z-scheme photocata-
The excellent properties of Janus TMD vdW structures high- lyst. As for MoSSe/WSe2, this heterostructure exhibits not only
light the potential applications in electronics, optoelectronics, ultrafast charge separation but also high photoresponsivity in
and photocatalysts.[69] As the Rashba strength is dominated wide ranges of the spectrum. These appealing features make
by the vertical EF applying on the metal atoms, it is reasonable it promising in optoelectronic and photovoltaic applications.[72]
Phys. Status Solidi B 2022, 259, 2100562 2100562 (6 of 8) © 2022 The Authors. physica status solidi (b) basic solid state physics
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Xiao Tang received a Ph.D. from the Queensland University of Technology under the supervision of Prof.
Kou. She joined Nanjing Forestry University in 2021. Her current research focuses on theoretical
explorations of 2D materials with novel electronic and magnetic properties.
Liangzhi Kou received a Ph.D. in 2011 from the Nanjing University of Aeronautics and Astronautics. He
was an Alexander von Humboldt Fellow at the Bremen Center of Computational Materials Sciences
(BCCMS) in Germany during 2012–2014, a research associate at UNSW Australia in 2014, and an ARC
DECRA fellow during 2015–2018. He is currently an associate professor at the Queensland University of
Technology. His research mainly focuses on computational discovery and design of novel 2D materials
for energy applications and 2D topological insulators.
Phys. Status Solidi B 2022, 259, 2100562 2100562 (8 of 8) © 2022 The Authors. physica status solidi (b) basic solid state physics
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