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Axial ligand engineering enhanced CoN4-based catalysts as efficient electrocatalysts for ORR/OER with low overpotentials: A DFT study

Zeliang Ju, Xuyun Zhang, Yong Wang, Qingxin Kang, Yan Liang, Fuyao Yu

2024Colloids and Surfaces A Physicochemical and Engineering Aspects20 citationsDOI

Topics & Concepts

OverpotentialCatalysisBifunctionalOxygen evolutionDensity functional theoryChemistryBifunctional catalystRational designAtomic orbitalNanotechnologyComputational chemistryCombinatorial chemistryChemical engineeringMaterials scienceElectrochemistryPhysical chemistryOrganic chemistryElectronPhysicsQuantum mechanicsElectrodeEngineeringElectrocatalysts for Energy ConversionFuel Cells and Related MaterialsMachine Learning in Materials Science
Axial ligand engineering enhanced CoN4-based catalysts as efficient electrocatalysts for ORR/OER with low overpotentials: A DFT study | Litcius