A single transition metal atom anchored on Nb<sub>2</sub>C as an electrocatalyst for the nitrogen reduction reaction
Xuanyue Zhang, Li‐Kai Yan, Zhong‐Min Su
Abstract
In this work, we systematically investigated the electrocatalytic activity of TM-Nb 2 C for N 2 reduction to NH 3 by DFT calculations.
Topics & Concepts
ElectrocatalystTransition metalNitrogenReduction (mathematics)Nitrogen atomMaterials scienceAtom (system on chip)Oxygen reduction reactionMetalWork (physics)Inorganic chemistryChemistryCrystallographyPhysical chemistryCatalysisElectrodeElectrochemistryMetallurgyThermodynamicsPhysicsOrganic chemistryEmbedded systemMathematicsGeometryComputer scienceGroup (periodic table)Ammonia Synthesis and Nitrogen ReductionNanomaterials for catalytic reactionsHydrogen Storage and Materials