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Two-dimensional Janus material MoS2(1-x)Se2x (0 < x < 1) for photovoltaic applications: A machine learning and density functional study

Authors :
Yunqing Huang
Guanhua Zhang
Jianmei Yuan
Yuliang Mao
Source :
Computational Materials Science. 186:109998
Publication Year :
2021
Publisher :
Elsevier BV, 2021.

Abstract

Janus transition-metal dichalcogenides MoSSe has been attracted much attention due to its excellent electronic properties induced by mirror symmetry breaking. In this work, based on machine learning and density functional theory, the photoelectric conversion coefficient (PCE) along with the variation of Se concentration in MoS2(1-x)Se2x (0

Details

ISSN :
09270256
Volume :
186
Database :
OpenAIRE
Journal :
Computational Materials Science
Accession number :
edsair.doi...........1ecbb9b94f7a4bcc6f466707d01e9035
Full Text :
https://doi.org/10.1016/j.commatsci.2020.109998