Multiple redox mechanisms for water-gas shift reaction on Fe3O4 (1 1 1) surface: A density functional theory and mean-field microkinetic modeling study
Pilsun Yoo, Peilin Liao
Topics & Concepts
ChemistryRedoxCatalysisDensity functional theoryWater-gas shift reactionChemisorptionReaction mechanismHalf-reactionAdsorptionPhysical chemistryComputational chemistryInorganic chemistryBiochemistryCatalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions