| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5386390 | Chemical Physics Letters | 2010 | 4 Pages |
Abstract
Our calculations with spin-polarized density-functional theory and on-site Coulomb interactions (DFT+U) have showed that (i) OH groups can facilitate O2 adsorption on CeO2 even at low OH coverages; (ii) the OH groups posses a long-range and coverage effects on the O2 adsorption; and (iii) the adsorbed O2 can readily diffuse along the surface Ce atoms in the presence of OH groups, and this may be a large O2 supply for CO oxidation on the interface of noble-metal/CeO2.
Related Topics
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Authors
Hui-Lung Chen, Hsin-Tsung Chen,