Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry

P. A. Rikvold; I. Abou Hamad; T. Juwono; D. T. Robb; M. A. Novotny

doi:10.1007/978-0-387-49586-6_4

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arXiv · 0910.2185

Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry

P. A. Rikvold·I. Abou Hamad·T. Juwono·D. T. Robb·M. A. Novotny

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Abstract

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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P. A. Rikvold, I. Abou Hamad, T. Juwono, D. T. Robb, M. A. Novotny. 2009-10-12. Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry. https://doi.org/10.1007/978-0-387-49586-6_4

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