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Coadsorption of Copper and Sulfate on Au(111) Electrodes: Monte Carlo Simulation of a Lattice-Gas Model

J. Zhang·P. A. Rikvold·Y. -E. Sung·A. Wieckowski
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Abstract

We report ground-state calculations and Monte Carlo simulations for a lattice-gas model of the underpotential deposition of copper on Au(111) in sulfate-containing electrolytes. In a potential range of approximately 100$\sim$150 mV, this system exhibits a $(\sqrt3\!\times\!\sqrt3)$ mixed phase with 2/3 monolayer (ML) copper and 1/3 ML sulfate. Our simulation results agree well with experimental results and with other theoretical work.

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J. Zhang, P. A. Rikvold, Y. -E. Sung, A. Wieckowski. 1995-03-02. Coadsorption of Copper and Sulfate on Au(111) Electrodes: Monte Carlo Simulation of a Lattice-Gas Model. https://arxiv.org/abs/cond-mat/9503011

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