Janus In2SeTe for photovoltaic device applications from first-principles study

Janus β-Te2X (X = S, Se) monolayers for efficient excitonic solar cells and photocatalytic water splitting

“…This results in boosting the STH efficiency of photocatalysts such as MoSSe, 41 B 2 P 6 , 42 WSSe, 43 WSeTe, 44 Pd 4 X 3 Y 3 (X, Y = S, Se, and Te; X ≠ Y), 45 etc. Also, PCEs of heterojunction solar cells based on Janus transition metal dichalcogenides (TMDs), 46 In 2 SeTe, 47 α-Te 2 S, 48 etc. , are also found to be enhanced.…”

Carrier and phonon transport in 2D InSe and its Janus structures

“…In all stacking patterns, bilayer In 2 SeTe exhibits a direct band gap. However, in 2022, Zhao et al [183] found that multi-layered Janus In 2 SeTe has an indirect band gap with vdW correction being considered by DFT-D3 method [182], in contrast with Cheng's work [92]. We noticed that the stacking pattern in the bilayer In 2 SeTe is different in these two works [92,183].…”

Computational mining of GeH-based Janus III–VI van der Waals heterostructures for solar cell applications

“…21 Using density functional calculations, the Ga 2 STe, Ga 2 SeTe, In 2 STe, and In 2 SeTe monolayers a Multiscale Computational Materials Facility, and Key Laboratory of Eco-materials were found to belong to the direct band-gap semiconductors with stable crystal lattice and great optical absorption properties. [22][23][24] On the other hand, 2D GeH can be obtained by mechanical exfoliation and exhibits a direct band gap of 1.53 eV with high electron mobility of 18 195 cm 2 V À1 s À1 . 25,26 Therefore, it is of interest to answer the question of whether fabricating vdW heterostructures with M 2 XY and GeH monolayers for potential photovoltaic applications is possible.…”

“…Furthermore, strain engineering can improve the electronic and optical properties in solar cell applications. 14,23,27 For example, the conduction band minima (CBM) of the In 2 SeTe monolayer can be tuned from À5.01 eV to À4.71 eV with compression strains. 23 Considering that the energy band structure has tremendous influence on the performance of solar cell absorbers, discussions for the impact of strain engineering are of great interest and importance.…”