Theoretical study of resonant charge exchange between H−ion and adsorbate-covered metal surface Cu(111)/Cu(110) with adsorbates Li+/Na+

Abstract

The influence of the surface type on resonant charge exchange between H−ion with a metal surfaces Cu(111) and Cu(110) covered by adsorbate Li+/Na+has been studied. A model static problem was considered. For modeling, athree-dimensional realization of the wave-packet propagation method was used. The Cu(110) andCu(111) surfaces were described by a pseudopotential, derived from a density functional theory (DFT).An occupation of H− ion, an electron density dynamics and an ion level width were analyzed. As aresult, we obtained that an electron oscillates more in case of the surface Cu(111). Furthermore, the resonant charge exchange is more efficient for Cu(111) surface.