Impact of the Interface Stacking and Composition of Janus Transition Metal Dichalcogenide Bilayers on the Solar Power Conversion Efficiency

Saber Alfurhud; Luqman Saleem; Abdus Samad; Udo Schwingenschlögl

doi:10.1002/solr.202300992

Impact of the Interface Stacking and Composition of Janus Transition Metal Dichalcogenide Bilayers on the Solar Power Conversion Efficiency

Saber Alfurhud, Luqman Saleem, Abdus Samad, Udo Schwingenschlögl^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Janus transition metal dichalcogenides hold great promise for achieving highly efficient solar cells. Therefore, the MoXY and WXY (X, Y = S, Se, Te; X ≠ Y) monolayers are examined using first-principles calculations to identify candidates with direct bandgap. A systematic analysis in terms of the interface stacking and composition of bilayers constructed of these monolayers is performed. Out of the 40 studied cases, 12 cases exhibit a direct bandgap with type-II band alignment and therefore are explored in detail. It is discovered that the composition (for the same stacking) can strongly enhance the power conversion efficiency, while the stacking (for the same composition) has minor effects.

Original language	English (US)
Article number	2300992
Journal	Solar RRL
Volume	8
Issue number	6
DOIs	https://doi.org/10.1002/solr.202300992
State	Published - Mar 2024

Bibliographical note

Publisher Copyright:
© 2024 The Authors. Solar RRL published by Wiley-VCH GmbH.

Keywords

Janus materials
solar cells
transition metal dichalcogenides

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Energy Engineering and Power Technology
Electrical and Electronic Engineering

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10.1002/solr.202300992

Cite this

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abstract = "Janus transition metal dichalcogenides hold great promise for achieving highly efficient solar cells. Therefore, the MoXY and WXY (X, Y = S, Se, Te; X ≠ Y) monolayers are examined using first-principles calculations to identify candidates with direct bandgap. A systematic analysis in terms of the interface stacking and composition of bilayers constructed of these monolayers is performed. Out of the 40 studied cases, 12 cases exhibit a direct bandgap with type-II band alignment and therefore are explored in detail. It is discovered that the composition (for the same stacking) can strongly enhance the power conversion efficiency, while the stacking (for the same composition) has minor effects.",

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AU - Schwingenschlögl, Udo

PY - 2024/3

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N2 - Janus transition metal dichalcogenides hold great promise for achieving highly efficient solar cells. Therefore, the MoXY and WXY (X, Y = S, Se, Te; X ≠ Y) monolayers are examined using first-principles calculations to identify candidates with direct bandgap. A systematic analysis in terms of the interface stacking and composition of bilayers constructed of these monolayers is performed. Out of the 40 studied cases, 12 cases exhibit a direct bandgap with type-II band alignment and therefore are explored in detail. It is discovered that the composition (for the same stacking) can strongly enhance the power conversion efficiency, while the stacking (for the same composition) has minor effects.

AB - Janus transition metal dichalcogenides hold great promise for achieving highly efficient solar cells. Therefore, the MoXY and WXY (X, Y = S, Se, Te; X ≠ Y) monolayers are examined using first-principles calculations to identify candidates with direct bandgap. A systematic analysis in terms of the interface stacking and composition of bilayers constructed of these monolayers is performed. Out of the 40 studied cases, 12 cases exhibit a direct bandgap with type-II band alignment and therefore are explored in detail. It is discovered that the composition (for the same stacking) can strongly enhance the power conversion efficiency, while the stacking (for the same composition) has minor effects.

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Impact of the Interface Stacking and Composition of Janus Transition Metal Dichalcogenide Bilayers on the Solar Power Conversion Efficiency

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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