Reduction of N<sub>2</sub> to NH<sub>3</sub> catalyzed by a Keggin-type polyoxometalate-supported dual-atom catalyst
Yu Wang, Rui‐Cheng Qin, Dan Wang, Chun‐Guang Liu
Abstract
In the present paper, a polyoxometalate-supported dual-atom catalyst has been designed for the nitrogen reduction reaction based on our density functional theory calculations.
Topics & Concepts
PolyoxometalateCatalysisDensity functional theoryOxygen reduction reactionDual (grammatical number)Atom (system on chip)NitrogenChemistryReduction (mathematics)Nitrogen atomInorganic chemistryMaterials scienceComputational chemistryPhysical chemistryOrganic chemistryElectrochemistryRing (chemistry)ElectrodeMathematicsGeometryComputer scienceLiteratureEmbedded systemArtAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesCatalytic Processes in Materials Science