Lattice-Gas Models of Electrochemical Adsorption: Static and Dynamic Aspects

P. A. Rikvold, A. Wieckowski, and R. A. Ramos

In Proceedings of the 1996 Materials Research Society Fall Meeting, Symposium P: Electrochemical Materials Synthesis and Modification, edited by P. C. Andricacos, S. G. Corcoran, Jean-Luc Delplancke, T. P. Moffat, and P. C. Searson. Mater. Res. Soc. Conf. Proc. Ser. 451, 61-74 (1997).


We discuss applications of statistical-mechanical lattice-gas models to electrochemical adsorption. Our strategy to describe specific systems includes microscopic model formulation, calculation of zero-temperature phase diagrams, numerical simulation of thermodynamic and structural quantities at nonzero temperatures, and estimation of effective, lateral interactions. We report applications to adsorption on single-crystal electrodes, presenting simulated and experimental coverages and voltammetric currents for urea on Pt(100) and the underpotential deposition of Cu on Au(111) in sulfuric acid. We also discuss an extension of the method to study time-dependent phenomena far from equilibrium.

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