Screening of transition metal single-atom catalysts doped on γ-graphyne-like BN sheet for efficient nitrogen reduction reaction
Tongtong Li, Yibo Wu, Mengying Pei
Topics & Concepts
CatalysisGraphyneElectrocatalystTransition metalAdsorptionChemistryNitrogenAtom (system on chip)SelectivityInorganic chemistryMaterials sciencePhysical chemistryComputational chemistryDensity functional theoryOrganic chemistryElectrochemistryElectrodeEmbedded systemComputer scienceAmmonia Synthesis and Nitrogen ReductionHydrogen Storage and MaterialsAdvanced Photocatalysis Techniques