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...

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Detalles Bibliográficos
Autores principales: Yang, Fan, Yang, Liang, Ai, Changzhi, Xie, Pengcheng, Lin, Shiwei, Wang, Cai-Zhuang, Lu, Xihong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6071297/
https://www.ncbi.nlm.nih.gov/pubmed/29933582
http://dx.doi.org/10.3390/nano8070455

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