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Kinetic Monte Carlo Simulation of Statistical Mechanical Models and Coarse-Grained Mesoscale Descriptions of Catalytic Reaction-Diffusion Processes: 1D Nanoporous and 2D Surface Systems

TitleKinetic Monte Carlo Simulation of Statistical Mechanical Models and Coarse-Grained Mesoscale Descriptions of Catalytic Reaction-Diffusion Processes: 1D Nanoporous and 2D Surface Systems
Publication TypeJournal Article
Year of Publication2015
AuthorsLiu, DJ, Garcia, A, Wang, J, Ackerman, DM, Wang, CJ, Evans, JW
JournalChemical Reviews
Volume115
Pagination5979-6050
Date Published06
Type of ArticleReview
ISBN Number0009-2665
Accession NumberWOS:000357064000008
Keywordsdensity-functional theory, lattice-gas models, Local, metal 100 surfaces, one-dimensional confinement, oscillatory co oxidation, pressures. 2. palladium, reaction-kinetics, scanning-tunneling-microscopy, single-file diffusion, temperature-programmed desorption
DOI10.1021/cr500453t
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Chemical Physics