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

摘要

We present Monte Carlo simulations using an equilibrium lattice-gas 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 y and the next-nearest-neighbor lateral interaction energy φ{sub}(nnn). Both coverage-dependent and coverage-independent y were previously studied, assuming a constant φ{sub}(nnn)[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 φ{sub}(nnn) is developed, and a relationship between φ{sub}(nnn) and y is investigated for Cl on Ag(100).