Electrocatalytic hydrogen evolution by a dinuclear copper complex and mechanistic elucidation through DFT studies
Manaswini Raj, Koushik Makhal, Dev Raj, Aman Mishra, Bhabani S. Mallik, Sumanta Kumar Padhi
Abstract
A dinuclear copper catalyst was synthesized and employed for electrocatalytic proton reduction. At an applied potential of −1.9 V vs . SCE, a faradaic efficiency of 93% was afforded. DFT studies revealed that it follows a concerted PCET path.
Topics & Concepts
ElectrocatalystCatalysisChemistryDehydrogenationDensity functional theoryElectrochemistryRedoxElectron transferFaraday efficiencyCopperPhotochemistryCombinatorial chemistryComputational chemistryPhysical chemistryInorganic chemistryOrganic chemistryElectrodeElectrocatalysts for Energy ConversionCO2 Reduction Techniques and CatalystsAdvanced battery technologies research