Mechanism of selective and complete oxidation in La<sub>2</sub>O<sub>3</sub>-catalyzed oxidative coupling of methane
Shibin Wang, Shenggang Li, David A. Dixon
Abstract
The catalytic mechanism and reaction network of oxidative coupling of methane over La<sub>2</sub>O<sub>3</sub> are thoroughly investigated by density functional theory calculations.
Topics & Concepts
Oxidative coupling of methaneCatalysisMethaneDensity functional theoryMechanism (biology)Coupling (piping)Oxidative phosphorylationChemistryReaction mechanismComputational chemistryMaterials sciencePhysical chemistryPhysicsOrganic chemistryBiochemistryQuantum mechanicsMetallurgyCatalysis and Oxidation ReactionsCatalytic Processes in Materials ScienceMesoporous Materials and Catalysis