Electronic structures of Zn1−xGaxO1−xNx and band offsets of the ZnO/Zn1−xGaxO1−xNx heterojunction across the entire concentration range from first principles-Reference-Cited by-同舟云学术

Electronic structures of Zn1−xGaxO1−xNx and band offsets of the ZnO/Zn1−xGaxO1−xNx heterojunction across the entire concentration range from first principles

Published:2022 Issue:1 Volume:24 Page:375-381
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Tianjiao¹,Liu Xiaojie¹,Wang Yin²^ORCID,Cao Ronggen³,Yin Haitao¹^ORCID

Affiliation:

1. Key Laboratory for Photonic and Electronic Bandgap Materials of Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, China

2. Department of Physics and International Centre for Quantum and Molecular Structures, Shanghai University, Shanghai 200444, China

3. Department of Materials Science, Fudan University, Shanghai 200433, China

Abstract

Electronic structures of Zn1−xGaxO1−xNx and band offsets of ZnO/Zn1−xGaxO1−xNx heterojunction across the entire concentration range were predicted by the modified Becke–Johnson semi-local exchange combined with the coherent potential approximation.

Funder

Natural Science Foundation of Heilongjiang Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04923B

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1. Semiconductor-based Photocatalytic Hydrogen Generation

2. Understanding Plasmon and Band Gap Photoexcitation Effects on the Thermal-Catalytic Oxidation of Ethanol by TiO2-Supported Gold

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4. Highly Stable Photoelectrochemical Water Splitting and Hydrogen Generation Using a Double-Band InGaN/GaN Core/Shell Nanowire Photoanode

5. New Visible Light Absorbing Materials for Solar Fuels, Ga(Sbx)N1−x