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. Calculated results demonstrate that the frequency of 62.37 meV (56 meV in a HREELS experiment) is attributed to the vibration parallel to the fcc-like 3-fold site along the [233] direction. The other calculated results are in good accord with HREELS experiments. Meanwhile, we also obtain the critical characteristics of the subsurface adsorption sites.
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