Theoretical studies of non-noble metal single-atom catalyst Ni1/MoS2: Electronic structure and electrocatalytic CO2 reduction
Qi Yu
Topics & Concepts
CatalysisDensity functional theoryIonic bondingCovalent bondMetalAtom (system on chip)RedoxElectron localization functionChemistryElectronic structureAtoms in moleculesNoble metalOxidation stateChemical bondCrystallographyMoleculeMaterials scienceChemical physicsComputational chemistryInorganic chemistryElectronIonOrganic chemistryComputer scienceQuantum mechanicsPhysicsEmbedded systemElectrocatalysts for Energy ConversionCO2 Reduction Techniques and CatalystsCatalytic Processes in Materials Science