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Electronic Band Structure Variations in the Ceria Doped Zirconia: A First Principles Study

Using first principle calculations, the effect of Ce with different doping concentrations in the network of Zirconium dioxide (ZrO(2)) is studied. The ZrO(2) cell volume linearly increases with the increasing Ce doping concentration. The intrinsic band gap of ZrO(2) of 5.70 eV reduces to 4.67 eV wit...

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Detalles Bibliográficos
Autores principales: Ramin Gul, Sahar, Khan, Matiullah, Zeng, Yi, Lin, Maohua, Wu, Bo, Tsai, Chi-Tay
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6073694/
https://www.ncbi.nlm.nih.gov/pubmed/30029462
http://dx.doi.org/10.3390/ma11071238