Exchange between sub-surface and surface oxygen vacancies on CeO2(111): a new surface diffusion mechanism
- 26 April 2011
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- Vol. 47 (21) , 6105-6107
Abstract
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.Keywords
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