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Kinetics of non-oxidative propane dehydrogenation on Cr2O3 and the nature of catalyst deactivation from first-principles simulations

Materials ScienceCatalyst DeactivationChemical EngineeringFirst-principles SimulationsEngineeringNon-oxidative Propane DehydrogenationCatalysisChemistryHydrogenCatalyst PreparationCatalytic ProcessChemical KineticsCatalyst ActivationCatalytic Synthesis