Electrosorption of Halides on Ag(100): Experiments and Monte Carlo Simulations

摘要

We present Monte Carlo Simulations using an equilibrium lattice-gas model for the electrosorption of Br and Cl on Ag(100) single-crystal surfaces. Fitting the simulated isotherms to chronocoulometry experiments, we extract parameters such as the electrosorption valency. A coverage-dependent, as well as a constant gamma were previously studied, assuming a constant next-nearest- neighbor lateral interaction energy phi_nnn. The electrosorption valency for the Cl/Ag(100) system showed a dependence on the coverage theta , while for the Br/Ag(100) system it did not. The need for a coverage- dependent phi_nnn and a possible relationship between phi_nnn and gamma are investigated for both Cl and Br.