Single Cr atom supported on boron nitride nanotubes for the reaction of N2O reduction by CO: A density functional theory study
Guohong Fan, Qi Wang, Hong Xu, Xiaohua Wang, Xianxian Tu, Xiangfeng Chu
Topics & Concepts
CatalysisDensity functional theoryDesorptionBoron nitrideMaterials scienceElementary reactionDecompositionAdsorptionAtom (system on chip)RedoxChemistryReaction mechanismElectron transferTransition stateRate-determining stepPhysical chemistryChemical engineeringComputational chemistryInorganic chemistryNanotechnologyOrganic chemistryEngineeringEmbedded systemComputer scienceKineticsPhysicsQuantum mechanicsCatalytic Processes in Materials ScienceAdvanced Photocatalysis TechniquesAmmonia Synthesis and Nitrogen Reduction