Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry

Details Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry

2009-10-12

arxiv.org/abs/0910.2185v1

Modern Aspects of Electrochemistry, Vol. 44, edited by M. Schlesinger (Springer-Verlag, Berlin Heidelberg, 2009), Ch. 4, pp. 1

Physics

Chemical Physics

12 pages, 5 figures, Invited Book Chapter

Scientific paper

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

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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