Manipulating the spin state to activate the atomically dispersed Fe–N–C catalyst for oxygen reduction
Fan Liu, Chengxiang Shi, Lun Pan, Zhen‐Feng Huang, Xiangwen Zhang, Ji‐Jun Zou
Abstract
Magnetic moment of 3d xz + 3d yz is a good ORR activity descriptor for Fe–N–C with e1g. Medium spin Fe( iii ) after NC–N doping balances O 2 activation and *OH desorption by tuning hybridization degree between Fe 3d xz ( yz ) and ORR intermediates π* orbitals.
Topics & Concepts
CatalysisSpin (aerodynamics)Oxygen reductionOxygenDesorptionOxygen reduction reactionSpin statesDopingAtomic orbitalMagnetic momentCrystallographyReduction (mathematics)ChemistryMaterials scienceCarbon fibersCondensed matter physicsInorganic chemistryPhysicsPhysical chemistryOptoelectronicsOrganic chemistryElectronElectrodeThermodynamicsMathematicsComposite materialAdsorptionComposite numberElectrochemistryQuantum mechanicsGeometryElectrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceFuel Cells and Related Materials