Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry
arXiv:0910.2185 · doi:10.1007/978-0-387-49586-6_4
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.
12 pages, 5 figures, Invited Book Chapter
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