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http://dx.doi.org/10.5229/JKES.2002.5.2.086

Application of Monte Carlo Simulation to Intercalation Electrochemistry II. Kinetic Approach to Lithium Intercalation into LiMn2O4 Electrode  

Kim, Sung-Woo (Corrosion and Interfacial Electrochemistry Research Laboratory at Department of Materials Science and Engineering Korea Advanced Institute of Science and Technology)
Pyun, Su-Il (Corrosion and Interfacial Electrochemistry Research Laboratory at Department of Materials Science and Engineering Korea Advanced Institute of Science and Technology)
Publication Information
Journal of the Korean Electrochemical Society / v.5, no.2, 2002 , pp. 86-92 More about this Journal
Abstract
The present article is concerned with the application of the kinetic Monte Carlo simulation to electrochemistry of lithium intercalation from the kinetic view point. Basic concepts of the kinetic Monte Carlo method and the transition state theory were first introduced, and then the simulation procedures were explained to evaluate diffusion process. Finally the kinetic Monte Carlo method based upon the transition state theory was employed under the cell-impedance-controlled constraint to analyse the current transient and the linear sweep voltammogram for the $LiMn_2O_4$ electrode, one of the intercalation compounds. From the results, it was found that the kinetic Monte Carlo method is much relevant to investigate kinetics of the lithium intercalation in the field of electrochemistry.
Keywords
Cell-impedance-controlled constraint; Kinetic Monte Carlo simulation; electrode; Lithium Inter-calation; Transition state theory;
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