期刊论文

Tang, Zhen-Kun;Chen, Mingyang

英文

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

0370-1972

2019

256

11

1900185-

10.1002/pssb.201900185

National Natural Science Foundation of ChinaNational Natural Science Foundation of China [51602092, U1530401]; Science and Technology Innovation Project Foundation of Hunan Province [2018RS3103]; Hunan Provincial Natural Science Foundation of ChinaNatural Science Foundation of Hunan Province [2017JJ3006]; Construct Program for Key Disciplines in Hunan Province; Technology Plan Project of Hunan Province [2016TP1020]; Science and Technology Development Plan Project in Hengyang City [2017KJ159, 2018KJ121]; Open fund project of Hunan Provincial Key Laboratory of Intelligent Information Processing and Application for Hengyang Normal University [IIPA19K03]

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Semiconductor photocatalysts have received a lot of attention because of their wide range of applications in solving energy and environmental problems. In this work, the electronic structure and optical properties of two‐dimensional (2D) heterostructures of bismuth oxyhalides (BiOX, X = Cl, Br, I) and transition‐metal oxides (YO3, Y = Mo, W) are studied by density functional theory. The results reveal that the 2D BiOX–YO3 heterostructures are semiconductors with band gaps of 0–1.41 eV. Electronic structure analyses indicate that the va...