Electrocatalytic reduction of nitrite to ammonia on undercoordinated Cu.

Abstract

Electrocatalytic NO2--to-NH3 reduction (NO2RR) has emerged as an intriguing route for simultaneous mitigation of harmful nitrites and production of valuable NH3. Herein, we design for the first time undercoordinated Cu nanowires (u-Cu) as an efficient and selective NO2RR electrocatalyst, delivering the maximum NO2--to-NH3 faradaic efficiency of 94.7% and an ammonia production rate of 494.5 μmol h-1 cm-2 at -0.7 V vs. RHE. Theoretical calculations reveal that the created undercoordinated Cu sites on u-Cu can enhance NO2- adsorption, boost NO2--to-NH3 energetics and restrict competitive hydrogen evolution, thereby enabling the active and selective NO2RR.