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

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

1995-03-02

arxiv.org/abs/cond-mat/9503011v1

In Computer Simulation Studies in Condensed Matter Physics VIII, D.P. Landau et al. ed., Springer Proceedings in Physics (Spri

Physics

Condensed Matter

7 pages, plain TeX, 3 uuencoded Postscript figures.

Scientific paper

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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