Modeling the effect of adsorbates on the surface segregation of binary alloy surfaces

ORAL

Abstract

The effect of adsorbed species on surface segregation in binary alloys has been investigated using band-structure density-functional theory. Particular emphasis is given to hydrogen adsorption on the Pd-Ag and Pd-Cu systems, which are of relevance for hydrogen selective dense metal membranes. It is demonstrated how adsorption can significantly alter the atomic-scale surface segregation in such binary alloy surfaces.

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Authors

  • Ole M. L{\O}vvik

    University of Oslo, Centre for Materials Science and Nanotechnology, University of Olso, P.O.Box 1126 Blindern, NO-0318, Norway AND Institute for Energy Technology

  • Susanne M. Opalka

    United Technologies Research Center