The direct Z-scheme character and roles of S vacancy in BiOCl/Bi2S3-(001) heterostructures for superior photocatalytic activity: a hybrid density functional investigation

Author:

Wang Wentao1ORCID,Liu Zuoyin2ORCID,Nie Hongwei2,Kong Bo2

Affiliation:

1. Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Guizhou Education University, Guiyang 550018, China

2. School of Physics and Astronomy, China West Normal University, Nanchong 637002, China

Abstract

The BiOCl/Bi2S3-(001) heterostructure is a direct Z-scheme photocatalyst. An S vacancy in BiOCl/Bi2S3-(001) can enhance its optical absorption, built-in electric field, hydrogen evolution reaction ability, and the difference in electron–hole mobility.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

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