Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO2(111)

Title:: Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO2(111)
Author(s):: Wang, Tongyu; Reuter, Karsten
Journal title:: The Journal of Chemical Physics
Year:: 2015
Journal volume:: 143
Journal issue:: 20
Pages contribution:: 204702
Fulltext / DOI:: doi:10.1063/1.4936354
Publisher:: AIP Publishing
Date of publication:: 28.11.2015
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