Lattice Gas Models for Chemisorption on Stepped Surfaces

摘要

We consider the theory of chemisorption on stepped surfaces for systems for which a lattice gas in thermodynamic equilibrium is an appropriate model. Using statistical mechanics we demonstrate that by comparing LEED (Low Energy Electron Diffraction) results for flat and stepped substrates one can determine the change in adsorption energy at terrace edges. Thus one can answer the important question of whether adatoms bind more or less strongly at this kind of defect site. We also examine some new and interesting features of LEED spot shapes and integrated intensity behavior for adsorption on stepped substrates when the overlayer is partially disordered. In a companion paper, we consider 0 on a certain stepped W(110) surface. We demonstrate there, via Monte Carlo calculations, that the binding energy is less strong on either terrace edge for this particular adsorbate, surface and defect. (Author)