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 journalArticlepeer-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 languageEnglish (US)
Article number2300992
JournalSolar RRL
Volume8
Issue number6
DOIs
StatePublished - Mar 2024

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

Fingerprint

Dive into the research topics of 'Impact of the Interface Stacking and Composition of Janus Transition Metal Dichalcogenide Bilayers on the Solar Power Conversion Efficiency'. Together they form a unique fingerprint.

Cite this