Hydrogen on palladium: A model system for the interaction of atoms and molecules with metal surfaces
نویسندگان
چکیده
The interaction of H with Pd surfaces has served as a model system in surface science. We review theoretical aspects of the adsorption and absorption phenomena that have been studied in this system. Issues such as the site dependence of atomic adsorption energies, lateral interactions between adsorbates, adsorption on stepped surfaces, poisoning of surface reactions, adsorbate induced reconstructions, coexistence of atomic and molecular species, and dynamics of adsorption and desorption are addressed. The results, which are mainly based on firstprinciples electronic structure theory, allow the identification of fundamental principles and mechanisms in the interaction of atoms and molecules with metal surfaces.
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