Issue 21, 2011

Exchange between sub-surface and surface oxygen vacancies on CeO2(111): a new surface diffusion mechanism

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.

Graphical abstract: Exchange between sub-surface and surface oxygen vacancies on CeO2(111): a new surface diffusion mechanism

Supplementary files

Article information

Article type
Communication
Submitted
01 Mar 2011
Accepted
04 Apr 2011
First published
26 Apr 2011

Chem. Commun., 2011,47, 6105-6107

Exchange between sub-surface and surface oxygen vacancies on CeO2(111): a new surface diffusion mechanism

H. Li, H. Wang, Y. Guo, G. Lu and P. Hu, Chem. Commun., 2011, 47, 6105 DOI: 10.1039/C1CC11226K

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