Probing the catalytic activity of M-N4−xOx embedded graphene for the oxygen reduction reaction by density functional theory
Fan Ge, Qing‐An Qiao, Xin Chen, You Wu
Topics & Concepts
CatalysisDensity functional theoryAdsorptionGibbs free energyGrapheneChemistryOxygenDopingOxygen reduction reactionWork (physics)Physical chemistryElectronic structureMaterials scienceComputational chemistryNanotechnologyThermodynamicsOrganic chemistryPhysicsElectrodeOptoelectronicsElectrochemistryElectrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceFuel Cells and Related Materials