Adsorption, vibration, and diffusion of O atoms on Rh low-index and (711) stepped defective surfaces

Article Abstract:

The adsorption, vibration, and diffusion of O atoms on Rh(100), Rh(111), Rh(110), and Rh(711) surfaces are studied using the 5-parameter Morse potential of interaction between an adatom and a metal surface cluster. The theoretical calculations provide information about adsorption sites, adsorption geometry, binding energy, and eigenvibration.

Binding energy

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The adsorption and dissociation of O(sub 2) on Cu low-index surfaces

Article Abstract:

The mechanism of the O(sub 2) adsorption and dissociation on the Cu low-index surfaces is investigated using the extended LEPS constructed by 5-MP based on the investigation of the atomic system of O-Cu. It is believed that the adsorption geometry of O(sub 2) on the metal surfaces relates to the lattice constant of metal.

Primary copper, Secondary nonferrous metals, Copper, Copper (Metal)

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Theoretical study of adsorption site and state for hydrogen atom on Pd(311)

Article Abstract:

The adsorption of hydrogen atom on open, rough Pd(311) stepped surface is investigated by the five parameter Morse potential (5-MP) method in detail. The results demonstrate that the frequency of 62.37 meV is attributed to the vibration parallel to the fcc-like 3-fold site along the [233] direction.

Primary nonferrous metals, not elsewhere classified, Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Palladium, Hydrogen

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