The effect of ferromagnetism on the CO activation over FCC crystal phase transition metal catalysts: Insights from DFT calculations
Guorong Jia, Lixia Ling, Riguang Zhang, Baojun Wang
Topics & Concepts
CatalysisFerromagnetismMetalTransition metalElectron transferDensity functional theoryMagnetic momentChemistryUnpaired electronMoleculeMaterials scienceInorganic chemistryPhysical chemistryComputational chemistryCondensed matter physicsOrganic chemistryPhysicsCatalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions