Electrocatalytic NO Reduction to NH₃ on Mo₂C Nanosheets

Electrocatalytic reduction of NO to NH₃ (NORR) emerges as a promising route for achieving harmful NO treatment and sustainable NH₃ generation. In this work, we first report that Mo₂C is an active and selective NORR catalyst. The developed Mo₂C nanosheets deliver a high NH₃ yield rate of 122.7 μmol h^–1 cm^–2 with an NH₃ Faradaic efficiency of 86.3% at −0.4 V. Theoretical computations unveil that the surface-terminated Mo atoms on Mo₂C can effectively activate NO, promote protonation energetics, and suppress proton adsorption, resulting in high NORR activity and selectivity of Mo₂C.