Mechanism of Visible Photoactivity of F-Doped TiO2

We calculate the electronic structure and optical properties of F-doped anatase TiO2. The results indicate that the band gap ofF-doped TiO2 increases slightly compared with the pure TiO2. However, it is interesting that the visible absorption of F-doped TiO2 located between 600 and 700 nm is observe...

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Bibliographic Details
Published in:Chinese physics letters 2010-05, Vol.27 (5), p.204-207
Main Author: 郭美丽 张晓东 梁春恬 贾国治
Format: Article
Language:English
Subjects:
Anatase
Density of states
Dielectrics
Electronic structure
Mathematical analysis
Optical properties
TiO2
Titanium
Titanium dioxide
二氧化钛
光催化
光学性质
可见光吸收
活性机理
电子结构
过掺杂
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Summary:We calculate the electronic structure and optical properties of F-doped anatase TiO2. The results indicate that the band gap ofF-doped TiO2 increases slightly compared with the pure TiO2. However, it is interesting that the visible absorption of F-doped TiO2 located between 600 and 700 nm is observed, and it enhances gradually with the increasing F concentration. Furthermore, according to the results of densities of states and imaginary part of dielectric function ε2（ω）, we propose that the transition between Ti 3d and Ti 3d states may be responsible for the visible absorption, but not the band gap narrowing.
ISSN:0256-307X
1741-3540
DOI:10.1088/0256-307X/27/5/057103