Theoretical study of p-block metal–nitrogen–carbon single-atom catalysts for the oxygen reduction reaction
Hao Hu, Peng Zhang, Beibei Xiao, Jianli Mi
Abstract
A ‘double-peak’ ORR volcano plot is found for the p-block metal–nitrogen–carbon catalysts by considering both pristine and OH* self-modifying sites.
Topics & Concepts
CatalysisNitrogenCarbon fibersOxygen reduction reactionMetalOxygenAtom (system on chip)ChemistryReduction (mathematics)Nitrogen atomOxygen atomBlock (permutation group theory)Inorganic chemistryMaterials sciencePhysical chemistryOrganic chemistryElectrodeMathematicsElectrochemistryMoleculeRing (chemistry)Computer scienceComposite materialGeometryEmbedded systemComposite numberElectrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions