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Modern Aspects of Electrochemistry No. 44 pp 131–149Cite as

Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry

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Part of the book series: Modern Aspects of Electrochemistry ((MAOE,volume 44))

Summary

We present a brief survey of methods that utilize computer simulations and quantum and statistical mechanics in the analysis of electrochemical systems. The methods, molecular dynamics and Monte Carlo simulations and quantum-mechanical density-functional theory, are illustrated with examples from simulations of lithium-battery charging and electrochemical adsorption of bromine on single-crystal silver electrodes.

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Acknowledgements

This work was supported by US National Science Foundation grants no. DMR-0240078 and DMR-0802288 (Florida State University) and DMR-0509104 (Clarkson University) and by ABSL Power Solutions, award no. W15P7T06CP408.

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Authors and Affiliations

  1. Center for Materials Research and Technology and Department of Physics, Florida State University, Tallahassee, FL, 32306-4350, USA

    P. A. Rikvold, P. A. Rikvold, I. Abou Hamad & T. Juwono

  2. HPC2, Center for Computational Sciences, Mississippi State University, Mississippi State, MS, 39762-5167, USA

    I. Abou Hamad & M. A. Novotny

  3. Department of Physics, Clarkson University, Potsdam, NY, 13699, USA

    D. T. Robb

  4. Department of Physics and Astronomy, Mississippi State University, Mississippi State, MS, 39762-5167, USA

    M. A. Novotny

  5. Department of Physics, Astronomy, and Geology, Berry College, Mount Berry, GA, 30149-5004, USA

    D. T. Robb

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  1. P. A. Rikvold
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  2. I. Abou Hamad
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  3. T. Juwono
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  4. D. T. Robb
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  5. M. A. Novotny
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Correspondence to P. A. Rikvold .

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Editors and Affiliations

  1. Dept. Physics, University of Windsor, Windsor, N9B 3P4, Canada

    Mordechay Schlesinger

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Rikvold, P.A., Hamad, I.A., Juwono, T., Robb, D.T., Novotny, M.A. (2009). Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry. In: Schlesinger, M. (eds) Modern Aspects of Electrochemistry No. 44. Modern Aspects of Electrochemistry, vol 44. Springer, New York, NY. https://doi.org/10.1007/978-0-387-49586-6_4

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