Competition between metal-catalysed electroreduction of dinitrogen, protons, and nitrogen oxides: a DFT perspective

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 .