Electrocatalytic nitrite-to-ammonia reduction on isolated Cu sites

We report that isolated Cu atoms anchored on MnO2 nanowires (Cu1/MnO2) can be an effective catalyst towards the electrocatalytic NO2--to-NH3 reduction (NO2RR). A combination of experiments and theoretical calculations reveals that isolated Cu sites can effectively activate NO2-, lower the energy barrier of *NO→*NOH rate-determining step and suppress the competitive hydrogen evolution, thus facilitating both activity and selectivity towards the NO2RR. As a result, Cu1/MnO2 shows the maximum NH3-Faradaic efficiency of 93.3% with a corresponding NH3 yield rate of 439.8 μmol h-1 cm-2 at -0.7 V vs. RHE, together with an excellent electrocatalytic durability.