Modulating the atomic and electronic structures through alloying and heterostructure of single-layer MoS2

Author:

Wei Xiao-Lin12345,Zhang Hui56789,Guo Gen-Cai1234,Li Xi-Bo56,Lau Woon-Ming561011,Liu Li-Min56

Affiliation:

1. Laboratory for Quantum Engineering and Micro-Nano Energy Technology

2. Department of Physics

3. Xiangtan University

4. Xiangtan, China

5. Beijing Computational Science Research Center

6. Beijing 100084, China

7. Normal college

8. Shenyang University

9. Shenyang 110044, China

10. Chengdu Green Energy and Green Manufacturing Technology R&D Center

11. Chengdu, China

Abstract

Charge density of the VBM (green) and CBM (blue) for armchair MoS2–WS2 heterostructures, indicating the spontaneous separation of photo-generated electrons and holes, which could strongly enhance the photocatalytic activity due to suppression of the electron–hole recombination.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

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