High-Performance N2‑to-NH3 Conversion Electrocatalyzed by Mo2C Nanorod

The synthesis of NH3 is mainly dominated by the traditional energy-consuming Haber–Bosch process with a mass of CO2 emission. Electrochemical conversion of N2 to NH3 emerges as a carbon-free process for the sustainable artificial N2 reduction reaction (NRR), but requires an efficient and stable electrocatalyst. Here, we report that the Mo2C nanorod serves as an excellent NRR electrocatalyst for artificial N2 fixation to NH3 with strong durability and acceptable selectivity under ambient conditions. Such a catalyst shows a high Faradaic efficiency of 8.13% and NH3 yield of 95.1 μg h–1 mg–1 cat at −0.3 V in 0.1 M HCl, surpassing the majority of reported electrochemical conversion NRR catalysts. Density functional theory calculation was carried out to gain further insight into the catalytic mechanism involved.