Electrocatalytic NO Reduction to NH₃ on Mo₂C Nanosheets

Electrocatalytic reduction of NO to NH 3 (NORR) emerges as a promising route for achieving harmful NO treatment and sustainable NH 3 generation. In this work, we first report that Mo 2 C is an active and selective NORR catalyst. The developed Mo 2 C nanosheets deliver a high NH 3 yield rate of 122.7 μmol h –1 cm –2 with an NH 3 Faradaic efficiency of 86.3% at −0.4 V. Theoretical computations unveil that the surface-terminated Mo atoms on Mo 2 C can effectively activate NO, promote protonation energetics, and suppress proton adsorption, resulting in high NORR activity and selectivity of Mo 2 C.