Competition between metal-catalysed electroreduction of dinitrogen, protons, and nitrogen oxides: a DFT perspective
Pilar Carro, Jaecheol Choi, Douglas R. MacFarlane, Alexandr N. Simonov, J.M. Doña-Rodrı́guez, Luis Miguel Azofra
Abstract
Metals are common electrocatalysts for N 2 -into-NH 3 reduction. In protic media, H + competes with N 2 to be reduced into H 2 . NO x , common air pollutants, are predicted to be more selectively converted into NH 3 than N 2 , and even more than H + into H 2 .
Topics & Concepts
CatalysisMetalNitrogenChemistryCompetition (biology)Nitrogen oxidesInorganic chemistryPollutantPhotochemistryOrganic chemistryWaste managementEcologyEngineeringBiologyAmmonia Synthesis and Nitrogen ReductionCaching and Content DeliveryCO2 Reduction Techniques and Catalysts