First-Principle Study on the Photocatalystic Properties of Tungsten Doped Monoclinic BiVO<sub>4</sub> Crystallites-Reference-Cited by-同舟云学术

First-Principle Study on the Photocatalystic Properties of Tungsten Doped Monoclinic BiVO₄ Crystallites

Published:2013-12 Issue: Volume:873 Page:845-849
ISSN:1662-8985
Container-title:Advanced Materials Research
language:
Short-container-title:AMR

Author:

Xi Ying¹,Jiang Hai Qing¹,Jin Bo¹,Shi Jian Zhang¹,Lei Tian Ming¹,Zhang Zhi Yong²

Affiliation:

1. Xidian University

2. Northwest University

Abstract

In this paper, the photocatalytic properties of W-doped monoclinic BiVO4were studied by CASTEP of MS-5.5 software under PWPP based on density function theory (DFT). The results showed that the band gap narrowed and the absorption edge red shifted after 5d atomic orbit of W mixing into the valence band of BiVO4crystallites, which could effectively improve the photocatalytic activity of BiVO4crystallites. The calculated results also implied that the photocatalytic properties of monoclinic BiVO4crystallites could be improved by doping the transition metal with 5d4orbital.

Publisher

Trans Tech Publications, Ltd.

Subject

General Engineering

Link

https://www.scientific.net/AMR.873.845.pdf

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