Lattice-Gas Models of Electrochemical Adsorption: Static and Dynamic Aspects
P. A. Rikvold, A. Wieckowski, and R. A. Ramos
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
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.