Coulomb Electron Interaction between an Adsorbate and Substrate: a Model of a Surface Dimer

详细

The Coulomb interaction in the adsorption (adsorbate—substrate) system is reduced to a short-range repulsion between electrons of the adsorbed particle and atom of the substrate, which form a surface dimer. It is shown that allowance for this interaction leads to increased charge transfer between components of the dimer and decreased charge transfer between the dimer and metal substrate, which is caused by variation of the Fermi level in the adsorption system.