Dynamical polarization effects in dissociative sticking of a diatomic molecule with energy loss to the substrate

Abstract

We solve exactly and fully quantum mechanically a model Hamiltonian which describes energy loss to the substrate in dissociative sticking. The inelastic process is assumed as being due to electron–hole pairs. Results are calculated for the system H 2/Cu(111). It is shown that the main effect is a dynamical polarization of the electron system with no electron–hole pairs in the final channel, which enhances the sticking coefficient with respect to that calculated only with the elastic molecule–solid potential. Substrate excitations in the final channel contribute little to the sticking coefficient.