Regulating the charge densities of s-Block calcium single-atom site catalysts for efficient N2 activation and reduction
Tianyong Liu, Xiaoyang Qu, Yuqin Zhang, Xiaohang Wang, Qian Dang, Xingxing Li, Binju Wang, Shaobin Tang, Yi Luo, Jun Jiang
Topics & Concepts
Antibonding molecular orbitalChemistryAtomic orbitalAtom (system on chip)CatalysisValence (chemistry)MetalMolecular orbitalCrystallographyComputational chemistryChemical physicsPhysicsMoleculeBiochemistryQuantum mechanicsComputer scienceElectronEmbedded systemOrganic chemistryAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesCO2 Reduction Techniques and Catalysts