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The 5-parameter Morse potential (for short5-MP) of the interaction between C, O atom and Rh surfaceand the extended LEPS potential have been constructed, andthe adsorption and diffusion of CO molecules on Rh low in-dex surfaces and open rough Rh(331) stepped surface areinvestigated. This work puts forward the concept of vibra-tion dactylogram property for molecular adsorption states.The calculation results and the analysis of vibration dactylo-gram show that there exists the commonness in the adsorp-tion on Rh low index surfaces and An(331) stepped surface:with the increasing coverage, the top, bridge sites are ad-sorbed in perpendicularly in sequence, and the top sites arethe steady adsorption sites and the bridge sites are the next.On (100) surface, CO molecules obtain the eigenvibration of2009, 1946 cm~(-1) on the top and bridge sites respectively andthe difference between the binding energy of above two sitesis 0.09 eV; on (110) surface, CO molecules obtain the eigen-vibration of 2019, 1961 cm~(-1)
The 5-parameter Morse potential (for short5-MP) of the interaction between C, O atom and Rh surface and the extended LEPS potential have been constructed, and the adsorption and diffusion of CO molecules on Rh low in-dex surfaces and open rough Rh ( 331) stepped surface areinvestigated. This work puts forward the concept of vibra-tion dactylogram property for molecular adsorption states. The calculation results and the analysis of vibration dactylo-gram show that there exists the commonness in the adsorption on Rh low index surfaces and An (331) stepped surface: with the increasing coverage, the top, the bridge sites are ad-sorbed in perpendicularly in sequence, and the top sites are the steady-adsorption sites and the bridge sites are the next. On (100) surface, CO molecules obtain the eigenvibration of2009, 1946 cm -1 on the top and bridge sites respectively and the difference between the binding energy of above two sites is 0.09 eV; on (110) surface, CO molecules obtain the eigen-vibration of 2 019, 1961 cm -1