Density functional theory study of doping effects in monoclinic clinobisvanite BiVO4

被引：100

作者：

Zhao, Zongyan ^{[1
,3
]}

Luo, Wenjun ^{[1
,3
]}

Li, Zhaosheng ^{[1
,2
,3
]}

Zou, Zhigang ^{[1
,3
]}

机构：

[1] Nanjing Univ, ERERC, Dept Phys, Nanjing 210093, Peoples R China

[2] Nanjing Univ, Dept Mat Sci & Engn, Nanjing 210093, Peoples R China

[3] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Peoples R China

来源：

PHYSICS LETTERS A | 2010年 / 374卷 / 48期

关键词：

Doping effects; Monoclinic BiVO4; Density functional theory calculations; ENHANCED PHOTOCATALYTIC ACTIVITY; VISIBLE-LIGHT IRRADIATION; PHOTOELECTROCHEMICAL DECOMPOSITION; EFFICIENT DEGRADATION; FILM ELECTRODES; WATER; COMPOSITE; O-2;

D O I：

10.1016/j.physleta.2010.10.014

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The doping effects of several transition metal impurities for monoclinic BiVO4 are studied by DFT calculations The results indicated that transition metal doping could reduce the effective mass of holes on the top of valence band except Zr doping In particular we found the "e" states of impurities have significant influence on the photophysical properties of BiV1-xMxO4 under visible-light irradiation (C) 2010 Elsevier B V All rights reserved

引用

页码：4919 / 4927

页数：9

共 48 条

[1] Efficient photocatalytic activity of water oxidation over WO3/BiVO4 composite under visible light irradiation [J].