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Single-atom catalytic N2 fixation with integrated descriptors on a novel π-π conjugated graphitic carbon nitride (g-C13N15) platform obtained by self-doping design: Prediction of ultrahigh activity and desirable selectivity

Materials ScienceCatalytic ApplicationEngineeringCarbon-based MaterialGrapheneSingle-atom CatalystCatalysisChemistryGraphitic Carbon NitrideDesirable SelectivityIntegrated DescriptorsCatalytic Synthesis