Hydrogen abstraction from metal surfaces: When electron-hole pair excitations strongly affect hot-atom recombination

Abstract

Using molecular dynamics simulations, we predict that the inclusion of nonadiabatic electronic excitations influences the dynamics of preadsorbed hydrogen abstraction from the W(110) surface by hydrogen scattering. The hot-atom recombination, which involves hyperthermal diffusion of the impinging atom on the surface, is significantly affected by the dissipation of energy mediated by electron-hole pair excitations at low coverage and low incidence energy. This issue is of importance as this abstraction mechanism is thought to largely contribute to molecular hydrogen formation from metal surfaces.

References in corpus (2)

• Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver surfaces
• Energy Dissipation to Tungsten Surfaces upon Eley-Rideal Recombination of N2 and H2

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