Transition metal Dual–Atom Ni2/TiO2 catalysts for photoelectrocatalytic hydrogen Evolution: A density functional theory study
Jialin Liu, Hai Bi, Lei Zhang, Gang Zhou
Topics & Concepts
CatalysisDensity functional theoryTransition metalDelocalized electronOxideHydrogenDimerAtom (system on chip)Hydrogen atomHydrogen productionMaterials sciencePhotocatalysisMetalChemistryAdsorptionPhotochemistryChemical physicsInorganic chemistryPhysical chemistryComputational chemistryMetallurgyEmbedded systemOrganic chemistryAlkylBiochemistryComputer scienceAdvanced Photocatalysis TechniquesElectrocatalysts for Energy ConversionCatalytic Processes in Materials Science