| .THEORETICAL STUDY OF VARIOUS ADSORPTION STATES OF OXYGEN ON SILVER SURFACE[J].分子催化,1990,(Z1): |
| THEORETICAL STUDY OF VARIOUS ADSORPTION STATES OF OXYGEN ON SILVER SURFACE |
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| 基金项目:Present address:Chemistry Department,South China University of Technology,Gusng Zhou,China |
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| 中文摘要: |
| The various adsorption states of oxygen on different sites of silver surfaces have been studied using CNDO method. The result shows that a fairly strong, adsorption bond is formed when oxygen molecule is adsorbed, in lying down position with its axis parallel to the surface, at the surface bridge site having larger silver-silver distance. In this case, the adsorbed oxygen molecule has fairly strong tendency to dissociate. The most favorite sites on Ag(110) and Ag(111) surfaces for oxygen molecules or atoms to be adsorbed have been suggested after calculation and analysis. The differences of oxygen adsorption on these two surfaces mentioned above have been compared. The most stable adsorption states of oxygen are O_2~(2-), O~(2-) on Ag(110) and O_2~-, O~-on Ag(111). On silver film or polycrystalline silver, O_2~(2-), O_2~-, O~(2-), O~- may coexist. The results are in agreement with experiments. |
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