The microscopic oxidation mechanism of NH3 on CuO(111): A first-principles study
Chaohe Zheng, Haibo Zhao
Topics & Concepts
DehydrogenationCatalysisNOxChemistryAmmoniaDensity functional theoryOxygenYield (engineering)Elementary reactionAdsorptionNitrogenReaction mechanismCombustionPhotochemistryPhysical chemistryComputational chemistryKineticsThermodynamicsOrganic chemistryPhysicsQuantum mechanicsCatalytic Processes in Materials ScienceChemical Looping and Thermochemical ProcessesCatalysis and Oxidation Reactions