| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1618077 | Journal of Alloys and Compounds | 2011 | 5 Pages |
Abstract
Electronic and optical properties of pure, N-doped, Fe-doped and (N, Fe)-codoped anatase TiO2 were evaluated, respectively, by using the density functional theory. The results indicate that the elemental doping narrows the band gap of TiO2 and realize its visible-light response activity; and incorporation of Fe into N-doped TiO2 further increases the photocatalytic activity under visible-light irradiation compared with that of the N-doped TiO2.
► A first-principle studies the electronic and optical properties of (N, Fe)-codoped anatase TiO2. ► All the doped system can narrow the band gap and realize visible-light response of anatase. ► (N, Fe)-codoped anatase shows better visible-light photocatalytic activity than mono-doping system.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Lichao Jia, Congcong Wu, Song Han, Nian Yao, Yuanyuan Li, Zongbao Li, Bo Chi, Jian Pu, Li Jian,