Role of atomic substitution in first coordination shell of Fe–N–C single atom catalyst towards oxygen reduction reaction: A theoretical study
Monika Singh, Dipak K. Das, Anuj Kumar
Topics & Concepts
CatalysisSubstitution (logic)Oxygen reduction reactionAtom (system on chip)Atomic oxygenOxygen atomShell (structure)ChemistryOxygenReduction (mathematics)CrystallographyMaterials sciencePhysical chemistryElectrochemistryMoleculeOrganic chemistryComposite materialComputer scienceGeometryMathematicsProgramming languageEmbedded systemElectrodeElectrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceFuel Cells and Related Materials