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Surface reduction properties of ceria–zirconia solid solutions: a first-principles study

Based on the density functional theory (DFT), the reduction properties of Ce(1−x)Zr(x)O(2) (110) surfaces were systematically calculated using CO as a probe for thermodynamic study, and a large supercell was applied to build the whole composition range (x = 0.125, 0.250, 0.375, 0.500, 0.625, 0.750,...

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Detalles Bibliográficos
Autores principales: Cao, Xuesong, Zhang, Chenxi, Wang, Zehua, Liu, Wen, Sun, Xiaomin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049197/
https://www.ncbi.nlm.nih.gov/pubmed/35495250
http://dx.doi.org/10.1039/c9ra09550k

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