Electronic Structures of S/C-Doped TiO2 Anatase (101) Surface: First-Principles Calculations
The electronic structures of sulfur (S) or carbon (C)-doped TiO2 anatase (101) surfaces have been investigated by density functional theory (DFT) plane-wave pseudopotential method. The general gradient approximation (GGA) + U (Hubbard coefficient) method has been adopted to describe the exchange-co...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2014-01-01
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| Series: | International Journal of Photoenergy |
| Online Access: | http://dx.doi.org/10.1155/2014/816234 |