Coordination tunes the activity and selectivity of the nitrogen reduction reaction on single-atom iron catalysts: a computational study
Dongxu Jiao, Yuejie Liu, Qinghai Cai, Jingxiang Zhao
Abstract
By introducing B coordination, the catalytic performance of Fe-N<sub>4</sub>/G can be greatly enhanced.
Topics & Concepts
CatalysisSelectivityNitrogen atomAtom (system on chip)NitrogenChemistryReduction (mathematics)Oxygen reduction reactionInorganic chemistryPhysical chemistryOrganic chemistryComputer scienceGroup (periodic table)ElectrochemistryElectrodeEmbedded systemMathematicsGeometryAmmonia Synthesis and Nitrogen ReductionNanomaterials for catalytic reactionsAdvanced Photocatalysis Techniques