Mo2C for electrocatalytic nitrate reduction to ammonia

Electrocatalytic nitrate reduction to ammonia (NRA) shows great potential to simultaneously realize sustainable NH₃ production and NO₃^- pollutant elimination. Herein, Mo₂C, a typical transition metal carbide, is first demonstrated to be an efficient and durable NRA catalyst. The developed Mo₂C nanoparticles anchored on reduced graphene oxide (Mo₂C/RGO) show a maximum NH₃-faradaic efficiency of 85.2% with a corresponding NH₃ yield of 4.8 mg h^-1 cm^-2. Theoretical computations reveal that surface-terminated Mo sites of Mo₂C can selectively absorb NO₃^- and effectively boost the NRA process through a NOH hydrogenation pathway.