Elucidating the oxygen reduction reaction kinetics on defect engineered nanocarbon electrocatalyst: interplay between the N-dopant and defect sites
Sakshi Bhardwaj, Samadhan Kapse, Soirik Dan, Ranjit Thapa, Ramendra Sundar Dey
Abstract
For oxygen reduction reaction (ORR), the active sites of a defective N-doped graphene are predicted by a quantum mechanics/machine learning approach; the synthesized catalyst shows exemplary ORR activity that was further confirmed by a DFT study.
Topics & Concepts
ElectrocatalystOxygen reduction reactionDopantOxygen reductionCatalysisGrapheneKineticsOxygenMaterials scienceReduction (mathematics)DopingChemical engineeringNanotechnologyChemistryChemical physicsPhysical chemistryElectrochemistryElectrodePhysicsOrganic chemistryOptoelectronicsQuantum mechanicsEngineeringMathematicsGeometryElectrocatalysts for Energy ConversionFuel Cells and Related MaterialsAdvanced Memory and Neural Computing