A theoretical study on the ORR electrocatalytic activity of axial ligand modified cobalt polyphthalocyanine
Guilin Wang, Xiaoli Yang, Ruiying Wang, Jianfeng Jia
Abstract
exhibited a moderate Co-O bond order of 0.737, corresponding to moderate adsorption energy to the OOH intermediate. This study demonstrates that the interaction strength between CoPPc and ORR intermediates can be adjusted by selecting appropriate axial ligands, which can modulate the ORR catalytic activity.
Topics & Concepts
ElectronegativityChemistryOverpotentialCatalysisLigand (biochemistry)Bond orderBond strengthCobaltAdsorptionBond lengthHydrogen bondComputational chemistryCrystallographyElectrochemistryPhysical chemistryInorganic chemistryElectrodeOrganic chemistryMoleculeCrystal structureReceptorLayer (electronics)AdhesiveBiochemistryElectrocatalysts for Energy ConversionAdvanced battery technologies researchElectrochemical Analysis and Applications