Enhancing the photoelectrochemical activity of monoclinic BiVO<sub>4</sub>by discretizing oxygen vacancies: insights from DFT calculations

Shuyi Li; Xiaodan Yan; Jinlu He

doi:10.1039/d3cp02066e

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Enhancing the photoelectrochemical activity of monoclinic BiVO₄by discretizing oxygen vacancies: insights from DFT calculations

Shuyi Li Xiaodan Yan Jinlu He

Year: 2023 Journal: Physical Chemistry Chemical Physics Vol: 25 (28)Pages: 18866-18873 Publisher: Royal Society of Chemistry

DOI: 10.1039/d3cp02066e

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Abstract

Distribution of oxygen vacancies has a strong impact on the physical properties of photoanodes. Compared to localized oxygen vacancies, discrete oxygen vacancies can improve the PEC performance of the BiVO 4 photoanode.

Keywords:

Monoclinic crystal system Oxygen Discretization Materials science Chemical physics Oxygen evolution Chemistry Nanotechnology Crystallography Physical chemistry Crystal structure Mathematics Electrochemistry

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Advanced Photocatalysis Techniques

Physical Sciences → Energy → Renewable Energy, Sustainability and the Environment

Gas Sensing Nanomaterials and Sensors

Physical Sciences → Engineering → Electrical and Electronic Engineering

ZnO doping and properties

Physical Sciences → Materials Science → Materials Chemistry

Enhancing the photoelectrochemical activity of monoclinic BiVO₄by discretizing oxygen vacancies: insights from DFT calculations

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