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Tailoring Bandgap of Perovskite BaTiO(3) by Transition Metals Co-Doping for Visible-Light Photoelectrical Applications: A First-Principles Study
The physical and chemical properties of V-M″ and Nb-M″ (M″ is 3d or 4d transition metal) co-doped BaTiO(3) were studied by first-principles calculation based on density functional theory. Our calculation results show that V-M″ co-doping is more favorable than Nb-M″ co-doping in terms of narrowing th...
| 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/PMC6071297/ https://www.ncbi.nlm.nih.gov/pubmed/29933582 http://dx.doi.org/10.3390/nano8070455 |