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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,...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| 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 |