Defect physics of intrinsic point defects in BiPO<sub>4</sub> photocatalysts: a hybrid functional study-Reference-Cited by-同舟云学术

Defect physics of intrinsic point defects in BiPO₄ photocatalysts: a hybrid functional study

Published:2023 Issue:45 Volume:25 Page:30848-30857
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zheng Hongchun¹,Wang Jincheng¹^ORCID,Kong Bo¹,Xu Xiang¹,Zhang Min¹,Wang Wentao²^ORCID

Affiliation:

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

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

Abstract

Via first-principles hybrid functional calculations, it is found that Bi vacancies and O vacancies are the primary native defects in BiPO4. Under O-rich conditions, good p-type conductivity is observed in BiPO4.

Funder

National Natural Science Foundation of China

Sichuan Province Youth Science and Technology Innovation Team

Natural Science Research Project of Guizhou Province

Shihezi University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP03636G

Reference56 articles.

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5. Synthesis of Ag2CO3/α-Fe2O3 heterojunction and it high visible light driven photocatalytic activity for elimination of organic pollutants

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