| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5356422 | Applied Surface Science | 2011 | 4 Pages |
Abstract
⺠The bridge-top site for both the CaO and SrO (1 0 0) surfaces is the most favorable site for O2 adsorption, with predicted adsorption energies of 1.437 eV and 1.236 eV, respectively. ⺠Detailed analysis of density of states, Mullikan population and vibration frequency are performed. ⺠The calculated results imply the possible formation of a peroxo (O22â) when O2 is adsorbed with the bridge-top mode on both CaO and SrO (1 0 0) surfaces.
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Authors
Lizhi Wang,