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 100~150 mV, this system exhibits a
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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Zhang, J., Rikvold, P.A., Sung, YE., Wieckowski, A. (1995). Coadsorption of Copper and Sulfate on Au(111) Electrodes: Monte-Carlo Simulation of a Lattice-Gas Model. In: Landau, D.P., Mon, K.K., Schüttler, HB. (eds) Computer Simulation Studies in Condensed-Matter Physics VIII. Springer Proceedings in Physics, vol 80. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-79991-4_13
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DOI: https://doi.org/10.1007/978-3-642-79991-4_13
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