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
Brivio, G., Grimley, T., Trioni, M. (2000). Dynamical polarization effects in dissociative sticking of a diatomic molecule with energy loss to the substrate. SURFACE SCIENCE, 449(1-3), L243-L247 [10.1016/S0039-6028(00)00124-2].
Dynamical polarization effects in dissociative sticking of a diatomic molecule with energy loss to the substrate
Brivio, G;
2000
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
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