Publication | Closed Access
Theoretical insights into dual-atom catalysts for the oxygen reduction reaction: the crucial role of orbital polarization
62
Citations
56
References
2022
Year
Oxygen Reduction ReactionInorganic ChemistryChemical EngineeringEngineeringRegulatory MechanismNatural SciencesHeterogeneous CatalysisSingle-atom CatalystCatalysisMolecular CatalysisHydrogenQuantum ChemistryChemistryOrbital PolarizationTheoretical InsightsEfficient Orr Catalyst
The effect of the regulatory mechanism of coordination environments on the oxygen reduction reaction (ORR) activity of dual-atom catalysts (DACs) is studied by theoretical calculation. FeFeNC-4 is predicted to be a highly efficient ORR catalyst.
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