Exchange between sub-surface and surface oxygen vacancies on CeO2(111):a new surface diffusion mechanism
| Data(s) |
2011
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|---|---|
| Resumo |
<p>Using first principles calculations for O vacancy diffusion on CeO2(111), we locate a surface diffusion mechanism, the two-step O vacancy exchange one, which is more favored than the most common hopping mechanism. By analyzing the results, we identify quantitatively the physical origin of why the two-step exchange mechanism is preferred.</p> |
| Identificador | |
| Idioma(s) |
eng |
| Direitos |
info:eu-repo/semantics/restrictedAccess |
| Fonte |
Li , H-Y , Wang , H-F , Guo , Y-L , Lu , G-Z & Hu , P 2011 , ' Exchange between sub-surface and surface oxygen vacancies on CeO2(111) : a new surface diffusion mechanism ' Chemical Communications , vol 47 , no. 21 , pp. 6105-6107 . DOI: 10.1039/c1cc11226k |
| Palavras-Chave | #LOW-INDEX SURFACES #MICROSCOPIC OBSERVATIONS #ELECTRONIC-STRUCTURE #CERIA #METAL #TRANSITION #OXIDATION #BEHAVIOR #ATOMS |
| Tipo |
article |
