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First-principles study on transition metal-doped anatase TiO(2)
The electronic structures, formation energies, and band edge positions of anatase TiO(2) doped with transition metals have been analyzed by ab initio band calculations based on the density functional theory with the planewave ultrasoft pseudopotential method. The model structures of transition metal...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914371/ https://www.ncbi.nlm.nih.gov/pubmed/24472374 http://dx.doi.org/10.1186/1556-276X-9-46 |