Binding Energies for Different Adsorption Sites of Hydrogen on Simple Metals

Abstract

A self-consistent calculation for hydrogen chemisorption is reported, where the surface is described both by the jellium model and by a model that includes ion pseudopotentials to lowest order. It predicts that for H on Al(100) a bridge configuration is the most favorable (binding energy 1.9 eV), and that the activation energy for surface diffusion is 0.1-0.2 eV.