Computational studies for boosting nitrate electroreduction activity of Fe-N4-C Single-Atom catalyst via axial fifth ligand
Yu Huang, Chunmei Tang, Qianlin Li, Jiangfeng Gong
Topics & Concepts
CatalysisChemistryDensity functional theoryElectrocatalystLigand (biochemistry)Inorganic chemistryAdsorptionAtom (system on chip)ElectrochemistryPhysical chemistryComputational chemistryOrganic chemistryReceptorElectrodeComputer scienceBiochemistryEmbedded systemAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesNanomaterials for catalytic reactions