Understanding active sites and mechanism of oxygen reduction reaction on FeN4–doped graphene from DFT study
Ying Yang, Wenjie Qi, Juntian Niu, Feng Chen, Wenli Li
Topics & Concepts
ChemistryCatalysisDissociation (chemistry)Density functional theoryAdsorptionTransition stateActive siteReaction mechanismAssociative substitutionGraphenePhotochemistryPhysical chemistryComputational chemistryNanotechnologyMaterials scienceOrganic chemistryElectrocatalysts for Energy ConversionAdvancements in Battery MaterialsNanomaterials for catalytic reactions