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

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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
Computational Materials Science ( IF 3.1 ) Pub Date : 2021-01-01 , DOI: 10.1016/j.commatsci.2020.109998
Guanhua Zhang , Jianmei Yuan , Yuliang Mao , Yunqing Huang

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

中文翻译：

用于光伏应用的二维 Janus 材料 MoS2(1-x)Se2x (0 < x < 1)：机器学习和密度泛函研究

摘要 Janus 过渡金属二硫属化物 MoSSe 因其优异的由镜面对称破坏引起的电子性质而备受关注。在这项工作中，基于机器学习和密度泛函理论，光电转换系数 (PCE) 随着 MoS2(1-x)Se2x (0

更新日期：2021-01-01

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