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| A MODEL POTENTIAL FOR CHEMISORPTION:CO+Ni(100) | |
| 基金项目： | This project was supported by the National Natural Science Foundation of China. |
| 摘 要： | A model LEPS potential has been applied to describe the interac-tion of carbon monoxide with the Ni(100)crystal face.The binding energiescomputed from the potential function agree with the trend of previous theo-retical calculations and experimental results,with the hollow site most stable,the bridge site intermediate and the on-top position least stable.The twiatomicadsorption is also possible,which is metastable. |
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