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

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Computer Simulation Studies in Condensed-Matter Physics VIII

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 80))

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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 100~150 mV, this system exhibits a

$$\left( {\sqrt {3} {\mkern 1mu} \times {\mkern 1mu} \sqrt {3} } \right)$$

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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Author information

Authors and Affiliations

  1. Supercomputer Computations Research Institute, Florida State University, Tallahassee, FL, 32306-4052, USA

    J. Zhang & P. A. Rikvold

  2. Department of Physics and Center for Materials Resarch and Technology, Florida State University, Tallahassee, FL, 32306-3016, USA

    P. A. Rikvold

  3. Department of Chemistry, University of Illinois, Urbana, IL, 61801, USA

    Y.-E. Sung & A. Wieckowski

Authors
  1. J. Zhang
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  2. P. A. Rikvold
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  3. Y.-E. Sung
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  4. A. Wieckowski
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Editor information

Editors and Affiliations

  1. Center for Simulational Physics, The University of Georgia, 30602, Athens, GA, USA

    David P. Landau Ph. D. , K. K. Mon Ph. D.  & Heinz-Bernd Schüttler Ph. D. ,  & 

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© 1995 Springer-Verlag Berlin Heidelberg

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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

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-79993-8

  • Online ISBN: 978-3-642-79991-4

  • eBook Packages: Springer Book Archive

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