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

Published online by Cambridge University Press:  10 February 2011

Per Arne Rikvold
Center for Materials Research and Technology, Supercomputer Computations Research Institute, and Department of Physics, Florida State University, Tallahassee, FL 32306 Department of Fundamental Sciences, College of Integrated Human Studies, Kyoto University, Kyoto 606, Japan
Andrzej Wieckowski
Department of Chemistry and Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, IL 61801
Raphael A. Ramos
Center for Materials Research and Technology, Supercomputer Computations Research Institute, and Department of Physics, Florida State University, Tallahassee, FL 32306 Department of Physics, University of Puerto Rico, Mayaguez, PR 00681
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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 thermody-namic 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.

Research Article
Copyright © Materials Research Society 1997

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