Multi sites vs single site for catalytic combustion of methane over Co3O4(110): A first-principles kinetic Monte Carlo study
Wende Hu, Zheng-Jiang Shao, Xiaoming Cao, P. Hu
Topics & Concepts
CatalysisKinetic Monte CarloMonte Carlo methodCombustionKinetic energyMethaneSelectivityChemistryCatalytic combustionActive siteKineticsThermodynamicsChemical physicsPhysical chemistryPhysicsOrganic chemistryStatisticsQuantum mechanicsMathematicsCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsCatalysts for Methane Reforming