Mo3C2: Active Electrocatalysts for Spontaneous Nitrogen Reduction Reaction

Electrocatalytic nitrogen reduction reaction (NRR) is an ideal alternative to the traditional Haber-Bosch method. However, the current lack of suitable electrocatalysts to achieve both high activity and selectivity hinders the practical application of NRR. Herein, we find that Mo3C2 is a promising N2 electroreduction catalysts. All hydrogenation processes are spontaneous and exothermic. In addition, Mo3C2 has a good suppressed effect on the competitive hydrogen evolution reaction (HER). The present work provides valuable information for experimental and theoretical studies to explore the catalytic potential of Mo-based MXenes catalysts for NRR.