Monte Carlo and UBI–QEP Modeling of the Coverage-Dependent Binding Energy for Atomic Adsorbates on the (111) and (100) Transition Metal Surfaces

Using the unity bond index–quadratic exponential potential (UBI–QEP) formalism and the Monte Carlo method, functions are obtained that describe the dependence of the binding energies of atomic adsorbates on the single crystal surface coverage for the models of random adsorption, models with a site choice and site preference, models with neighbor exclusion, and models with diffusion assistance.