Effects of native defects and cerium impurity on the monoclinic BiVO4 photocatalyst obtained via PBE+U calculations-Reference-Cited by-同舟云学术

Effects of native defects and cerium impurity on the monoclinic BiVO4 photocatalyst obtained via PBE+U calculations

Published:2020 Issue:43 Volume:22 Page:25297-25305
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhang Jihua¹²³⁴^ORCID,Chen Xia⁵⁶⁷⁴,Deng MingSen¹²³⁴^ORCID,Shen Hujun¹²³⁴,Li Hang⁸⁹¹⁰¹¹⁴,Ding Jianwen⁵⁶⁷⁴

Affiliation:

1. Guizhou Provincial Key Laboratory of Computational Nano-Material Science

2. Guizhou Education University

3. Guiyang 550018

4. China

5. School of Physics and Optoelectronic Engineering

6. Xiangtan University

7. Xiangtan

8. Institute for Computational Materials Science

9. School of Physics and Electronics

10. Henan University

11. Kaifeng 475004

Abstract

Under O-rich conditions, during the substitution of V by Ce in the single negatively charged state (Ce1−V) for m-BiVO₄, no localized state is found within the calculated band gap so as to improve photocatalysis.

Funder

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/2020/CP/D0CP01983F

Reference71 articles.

1. Ferroelasticity in BiVO4

2. Crystal growth and structure of BiVO4

3. Progress in bismuth vanadate photoanodes for use in solar water oxidation

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