Double boron atom-doped graphdiynes as efficient metal-free electrocatalysts for nitrogen reduction into ammonia: a first-principles study
Cheng Fu, Yafei Li, Hai‐Yan Wei
Abstract
value of -1.25 eV. Based on these results, our study provides useful guidelines for designing effective double atomic catalysts (DACs) based on nonmetal 2D nanosheets for effective electrochemical reduction reactions.
Topics & Concepts
BoronAmmoniaAtom (system on chip)NitrogenMetalInorganic chemistryChemistryNitrogen atomReduction (mathematics)DopingMaterials scienceOrganic chemistryOptoelectronicsGeometryMathematicsComputer scienceGroup (periodic table)Embedded systemAmmonia Synthesis and Nitrogen ReductionCaching and Content DeliveryAdvanced Photocatalysis Techniques