Tuning transition metal atoms embedded in N6 cavity structure toward efficient electrocatalytic ammonia synthesis
Rong Cao, Jiezhen Xia, Qi Wu
Topics & Concepts
Antibonding molecular orbitalDensity functional theoryCatalysisTransition metalChemistryAtomic orbitalFermi levelChemical physicsAmmonia productionAtom (system on chip)Computational chemistryElectronPhysicsBiochemistryComputer scienceQuantum mechanicsEmbedded systemAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesNanomaterials for catalytic reactions