CO oxidation on Ni-based single-atom alloys surfaces
Yajing Zhang, Xue-Rong Shi, Chunyan Sun, Simin Huang, Zhichang Duan, Pan Ma, Jianguo Wang
Topics & Concepts
CatalysisDensity functional theoryvan der Waals forceAtom (system on chip)Reaction mechanismMaterials scienceReaction rate constantPhysical chemistryNickelReaction rateChemistryChemical engineeringComputational chemistryKineticsMetallurgyMoleculeOrganic chemistryEngineeringComputer scienceQuantum mechanicsPhysicsEmbedded systemCatalytic Processes in Materials ScienceElectrocatalysts for Energy ConversionCatalysts for Methane Reforming