1. Enhanced visible-light photocatalytic activity of anatase TiO2 through N and S codoping
- Author
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Zongbao Li, Bo Chi, Congcong Wu, Jian Pu, Song Han, Li Jian, Lichao Jia, and Yuanyuan Li
- Subjects
Anatase ,Physics and Astronomy (miscellaneous) ,Absorption spectroscopy ,Chemistry ,Inorganic chemistry ,Doping ,Physics::Optics ,Crystal growth ,Condensed Matter::Materials Science ,Physics::Atomic and Molecular Clusters ,Density of states ,Photocatalysis ,Hydrothermal synthesis ,Physical chemistry ,Density functional theory - Abstract
The density of states and optical properties of N, S, and (N, S)-doped anatase TiO2 are calculated based on the density functional theory. The results indicate that the doping S atoms occupy the Ti-atom sites in anatase TiO2 lattice. The mixing of O 2p, N 2p, S 3p, and Ti 3d states in the forbidden gap of (N, S)-codoped TiO2 can result in the higher visible-light photocatalytic activities than those monodoped TiO2. For comparison, (N, S)-codoped TiO2 was also synthesized by one-step hydrothermal method, and the optical absorption spectra obtained by experiments verified the reliability of our calculation.
- Published
- 2011
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