Abstract
Ion neutralization near the surface of the composite catalysts Pt (or Ni)/ZnO is investigated by means of the Green-function method and the approximate many-level approach within the framework of the tight-binding model. The catalyst metal film is represented by a one-dimensional finite chain of d orbitals, the semiconductor support ZnO is characterized by a linear semi-infinite chain of alternating s and p orbitals, and the effects of a substitutional impurity atom at the surface of a substrate are studied using the Koster-Slater model. The calculated results show that the electronic structures of both the supported metal film and the support ZnO play important roles in the resonant charge-transfer process, upon which the impurity atom at the surface also exerts significant effects.
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