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

Hamad, I. Abou; Mitchell, S. J.; Wandlowski, Th.; Rikvold, P. A.; Brown, G.

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

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Description

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 gamma and the next-nearest-neighbor lateral interaction energy phi_nnn. Both coverage-dependent and coverage independent gamma were previously studied assuming a constant phi_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 phi_nnn is developed, and a relationship between phi_nnn and gamma is investigated for Cl on Ag(100).
Accepted for publication in Electrochimica Acta, 10 pages, 7 figures, 2 tables and an appendix