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The inelastic and dissociative chemisorption of H, (vj) and D, (vj) on Cu surfaces has been studied in a wide range of collisional kinetic energies below and above the activation barriers to dissociation. The dynamic calculations have been performed within a fully multi-dimensional semiclassical and a two-dimensional quantum wave packet approach. The important aspects concerning the different behaviours of vibrationally excited molecules coming from the gas-phase and dissociating on the surface are presented and discussed. The hydrogen atom recombination via Eley-Rideal mechanism has been also studied and the relevant rate coefficient as a function of the translational temperature of the gas-phase atom has been calculated.

Dissociation and atom recombination of H2 and D2 on metallic surfaces: A theoretical survey