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The Electronic Structure and Optical Properties of Anatase TiO(2) with Rare Earth Metal Dopants from First-Principles Calculations
The electronic and optical properties of the rare earth metal atom-doped anatase TiO(2) have been investigated systematically via density functional theory calculations. The results show that TiO(2) doped by Ce or Pr is the optimal choice because of its small band gap and strong optical absorption....
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5848876/ https://www.ncbi.nlm.nih.gov/pubmed/29364161 http://dx.doi.org/10.3390/ma11020179 |