Tuning the electronic structure of transition metals embedded in nitrogen-doped graphene for electrocatalytic nitrogen reduction: a first-principles study
Xiaonan Zheng, Yuan Yao, Ya Wang, Yang Liu
Abstract
The Fe/Mn–N–C catalyst is a promising candidate for the NRR as it shows significantly improved NRR catalytic activity and strong selectivity against the HER.
Topics & Concepts
CatalysisBimetalTransition metalElectrochemistryRedoxGrapheneGibbs free energyChemistryNitrogenMaterials scienceInorganic chemistryPhotochemistryNanotechnologyPhysical chemistryElectrodeOrganic chemistryThermodynamicsPhysicsAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesNanomaterials for catalytic reactions