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Mechanisms of temperature-dependent oxygen absorption/release and appearance of intermediate phase in κ-Ce(2)Zr(2)O(8): study based on oxygen vacancy formation energy computations
This study clarified the mechanisms of the temperature-dependent oxygen absorption/release properties and appearance of the intermediate phase for κ-Ce(2)Zr(2)O(8), which is known to have a high oxygen storage/release capacity (OSC). First-principle computations revealed that the vacancy formation e...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9169551/ https://www.ncbi.nlm.nih.gov/pubmed/35754917 http://dx.doi.org/10.1039/d2ra02419e |