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Electronic Structures of Cu/S Co-doped/ Anatase TiO2 by First-principles
The structural parameters, band structures and density of states of anatase TiO2 co-doped with Cu and S were calculated by first-principles based on the density functional theory. The results indicate that the volumes of the co-doped TiO2 increase due to the lattice distortion. The calculated X-ray...
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Main Authors: | , , |
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Formato: | Online |
Idioma: | por |
Publicado em: |
Revista Matéria
2017
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Acesso em linha: | https://revistas.ufrj.br/index.php/rm/article/view/8774 |
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