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.
|