High-Performance N 2 -to-NH 3 Conversion Electrocatalyzed by Mo 2 C Nanorod

Abstract

The synthesis of NH 3 is mainly dominated by the traditional energy-consuming Haber-Bosch process with a mass of CO 2 emission. Electrochemical conversion of N 2 to NH 3 emerges as a carbon-free process for the sustainable artificial N 2 reduction reaction (NRR), but requires an efficient and stable electrocatalyst. Here, we report that the Mo 2 C nanorod serves as an excellent NRR electrocatalyst for artificial N 2 fixation to NH 3 with strong durability and acceptable selectivity under ambient conditions. Such a catalyst shows a high Faradaic efficiency of 8.13% and NH 3 yield of 95.1 μg h -1 mg -1cat 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.