Cl electrosorption on Ag(100): Lateral interactions and electrosorption valency from comparison of Monte Carlo simulations with chronocoulometry experiments

We present Monte Carlo Simulations using an equilibrium latticegas model for the electrosorption of Cl on Ag(100) single-crystal surfaces. Fitting the simulated isotherms to chronocoulometry experiments, we extract parameters such as the electrosorption valency γ and the next-nearest-neighbor lateral interaction energy φnnn. Both coverage-dependent and coverage independent γ were previously studied, assuming a constant φnnn [I. Abou Hamad, Th. Wandlowski, G. Brown, P.A. Rikvold, J. Electroanal. Chem. 554-555 (2003) 211]. Here, a self-consistent, entirely electrostatic picture of the lateral interactions with a coverage-dependent φnnn is developed, and a relationship between φnnn and γ is investigated for Cl on Ag(100).