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2D Janus MoSSe/MoGeSiN4 vdW heterostructures for photovoltaic and photocatalysis applications.
- Source :
-
Journal of Alloys & Compounds . Mar2023, Vol. 938, pN.PAG-N.PAG. 1p. - Publication Year :
- 2023
-
Abstract
- Photoelectric catalytic and solar cells are two effective ways to solve the global energy shortage and environmental pollution problems. However, low carrier separation efficiency has been becoming a common problem of current photocatalytic water decomposition and solar cells. In this work, both the electronic structures and optical properties of Janus MoSSe/MoGeSiN 4 vdW heterostructures were systematically studied by density functional theory. The results show that the Janus MoSSe/MoGeSiN 4 vdW heterostructure with Se/Ge interfacial contact (Se/Ge heterostructure) is a direct band gap semiconductor. Interestingly, for the Se/Ge heterostructure, spatial separation of the photo-generated electrons and holes is expected, due to the conduction band minimum (CBM) and the valence band maximum (VBM) separately locating on the MoGeSiN 4 and MoSSe layer. Besides, the Se/Ge heterostructure not only exhibits considerable absorption index in the visible light range but also maximum theoretical photoelectric conversion efficiency approaches 26.4 %, which can be furthermore enhanced by varying the layer distance and biaxial strain. The Se/Ge heterostructure shows high carrier mobility, obvious carrier separation, notably visible light absorption and tunable photoelectric properties, making it promising candidates for novel two dimensional photocatalysis devices and solar cells. • MoGeSiN 4 /MoSSe heterostructure can form type-II band alignment with obvious carrier space separation. • Has excellent visible light absorption and high electron mobility of 6048.43 cm2V−1S−1. • The photoelectric conversion efficiency of heterostructure can be enhanced by strain and layer distance. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 09258388
- Volume :
- 938
- Database :
- Academic Search Index
- Journal :
- Journal of Alloys & Compounds
- Publication Type :
- Academic Journal
- Accession number :
- 161415877
- Full Text :
- https://doi.org/10.1016/j.jallcom.2023.168708