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Tuning the N Coordination Environment of Ir Single-Atom-Catalyst for Highly Efficient ORR and OER: A Computational Study

Materials ScienceInorganic ChemistryChemical EngineeringEngineeringN Coordination EnvironmentHeterogeneous CatalysisSingle-atom CatalystHighly Efficient OrrNanocatalysisCatalysisComputational ChemistryChemistryHydrogenCatalyst ActivationCatalytic ProcessIr Single-atom-catalyst