[Zhang, Hui] Shenyang Univ, Normal Sch, Shenyang 110044, Peoples R China.
通讯机构：
[Zhen-Kun Tang] C
[Hui Zhang] N
College of Physics and Electronics Engineering, Hengyang Normal University, Hengyang 421002, China<&wdkj&>Normal School, Shenyang University, Shenyang 110044, China
语种：
英文
关键词：
Janus vdW heterostructure;Density functional theory;Band alignment;Separation of photo -generated carriers
Hunan Provincial Natural Science Foundation of China [2020JJ4147]; Research Foundation of Education Bureau of Hunan Province, China [22A0505]; Science and Technology Plan Project of Hengyang City [202150083393]; Innovation and Entrepreneurship Training Program [2022105330185]; Key Laboratory of Optoelectronic Control and Detection Technology, University of Hunan Province
机构署名：
本校为第一机构
院系归属：
物理与电子工程学院
摘要：
Photoelectric catalytic and solar cells are two effective ways to solve the global energy shortage and en-vironmental 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/MoGeSiN4 vdW heterostructures were systematically studied by density functional theory. The results show that the Janus MoSSe/MoGeSiN4 vdW hetero-structure with Se/Ge interfacial contact (Se/Ge heterostructure) is a direct band gap semico...
