Newns-Anderson model of chemicurrents in H/Cu and H/Ag

Abstract

The excitation of the electronic system induced by the adsorption of a hydrogen atom on the (111) surfaces of copper and silver is investigated using the time-dependent, mean-field Newns-Anderson model. Parameters for the model are obtained by fitting to density functional theory calculations, allowing the charge and energy transfer between adsorbate and surface to be calculated, together with the spectrum of electronic excitations. These results are used to make direct comparisons with experimental measurements of chemicurrents, yielding good agreement for both the magnitude of the current and the ratio of the currents for H and D adsorption.

arXiv comment23 pages, 6 figures, submitted to Surface Science

References in corpus (4)

• Energy loss of atoms at metal surfaces due to electron-hole pair excitations: First-principles theory of "chemicurrents"
• Electron-hole pair creation by atoms incident on a metal surface
• Electronic damping of molecular motion at metal surfaces
• Spectrum of electronic excitations due to the adsorption of atoms on metal surfaces

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