Electronic Structure and Optical Properties of N/Si-Codoped Anatase TiO2 Evaluated Using First Principles Calculations
First principles calculations were used to evaluate the electronic structure and optical properties of N/Si-monodoped and N/Si-codoped TiO2 to further understand their photocatalytic mechanisms. In accordance with the atomic distance between N and Si dopants, this study considered three N/Si codopin...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2014-01-01
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| Series: | International Journal of Photoenergy |
| Online Access: | http://dx.doi.org/10.1155/2014/342132 |
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