Bi-Layer Single Atom Catalysts Boosted Nitrate-to-Ammonia Electroreduction with High Activity and Selectivity
Jingkun Yu, Xue Yong, Ang Cao, Siyu Lu
Topics & Concepts
ChemistryDensity functional theoryCatalysisMolecular orbitalSelectivityAb initioTransition metalHOMO/LUMOAtomic orbitalOrbital hybridisationMonolayerAtom (system on chip)Computational chemistryInorganic chemistryMoleculeMolecular orbital theoryPhysicsOrganic chemistryEmbedded systemElectronQuantum mechanicsComputer scienceBiochemistryAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesCO2 Reduction Techniques and Catalysts