Rational design single-atom modified Zr2CO2 MXene as a promising catalyst for nitrogen reduction reaction
Cuiping Shao, Yuwen Cheng, Mengyue Li, Feng Yang, Yan Song
Topics & Concepts
NonmetalChemistryDensity functional theoryCatalysisSelectivityRedoxOverpotentialAb initioTransition metalAtom (system on chip)MetalInorganic chemistryComputational chemistryPhysical chemistryElectrochemistryOrganic chemistryElectrodeComputer scienceEmbedded systemAmmonia Synthesis and Nitrogen ReductionMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques