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First Principles Study on the Electronic Structure and Optical Property of Nd-C Codoped Anatase TiO2
Band structures, density of states, and absorption spectra of pure, Nd doped, C doped, and Nd-C codoped TiO2 are calculated using first-principles based on density functional theory. Calculation results show that Nd 4f state forms empty impurity energy levels below conduction band, and C 2p state to...
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| Main Authors: | , , |
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| Formato: | Online |
| Idioma: | Português |
| Publicado em: |
Journal Materia
2016
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| Acesso em linha: | https://revistas.ufrj.br/index.php/rm/article/view/5115 |
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