Mechanism insight into MnO for CO activation and O removal processes on Co(0001) surface: A DFT and kMC study
Minhua Zhang, Suocheng Chi, Heyuan Huang, Yingzhe Yu
Topics & Concepts
Dissociation (chemistry)DisproportionationCatalysisChemistryDensity functional theoryTransition stateActivation energySelectivityKinetic Monte CarloPhysical chemistryChemical physicsPhotochemistryComputational chemistryMonte Carlo methodOrganic chemistryMathematicsStatisticsCatalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions