期刊
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
卷 45, 期 4, 页码 2785-2793出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ijhydene.2019.11.178
关键词
Heterostructure; Photocatalytic water splitting; Direct z-scheme; Hybrid functional study
资金
- National Natural Science Foundation of China [11875226, 11874306]
- Natural Science Foundation of Chongqing [CSTC-2017jcyjBX0035]
- Fundamental Research Funds for the Central Universities [XDJK2017C062, XDJK2017B020]
- educational reform Research Funds of Southwest University [2018JY0730]
The direct Z-scheme photocatalysts for overall water decomposition have aroused much concern on account of their strong redox ability and efficient separation of photogenerated electron-hole pairs. In the present work, we have constructed the two dimensional (2D) van der Waals (vdW) MoSe2/SnS2 heterojunction and investigated its electronical and optical properties by applying hybrid functional calculations. The calculated band structures have implied that the MoSe2/SnS2 heterostructure as a direct Z-scheme photocatalyst can make the best of visible light. The induced built-in electric field can effectively improve the separation efficiency of the photoinduced carriers. Moreover, compared with the MoSe2 and SnS2 monolayers, the absorption intensity of MoSe2/SnS2 heterojunction is reinforced in the visible light range. Therefore, MoSe2/SnS2 nanocomposite shows a bright application prospect as a direct Z-scheme visible-light-driven photocatalyst for overall water splitting. (C) 2019 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
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