Single-, double-, and triple-atom catalysts on graphene-like C<sub>2</sub>N enable electrocatalytic nitrogen reduction: insight from first principles
Jin Zhang, Wei An
Abstract
The *NH x intermediates on M n @C 2 N are highly stable for n = 3 and unstable for n = 1, rendering M n @C 2 N as the optimal candidate for driving the eNRR owing to its moderate binding with NH x ( x = 0, 1, 2, 3).
Topics & Concepts
CatalysisGrapheneNitrogenNitrogen atomAtom (system on chip)Rendering (computer graphics)ChemistryOxygen reduction reactionMaterials scienceCrystallographyNanotechnologyCombinatorial chemistryElectrochemistryPhysical chemistryElectrodeOrganic chemistryComputer scienceGroup (periodic table)Embedded systemComputer graphics (images)Ammonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesHydrogen Storage and Materials