TY - JOUR AU - Liu, Guohua AU - Niu, Lijuan AU - Ma, Zhixue AU - An, Li AU - Qu, Dan AU - Wang, Dandan AU - Wang, Xiayan AU - Sun, Zaicheng PY - 2022 TI - Fe2Mo3O8/XC-72 electrocatalyst for enhanced electrocatalytic nitrogen reduction reaction under ambient conditions JO - Nano Research SN - 1998-0124 SP - 5940 EP - 5945 VL - 15 IS - 7 AB - To perform the electrochemical nitrogen reduction reaction (NRR) under milder conditions for sustainable ammonia production, electrocatalysts should exhibit high selectivity, activity, and durability. However, the key restrictions are the highly stable N≡N triple bond and the competitive hydrogen evolution reaction (HER), which make it difficult to adsorb and activate N2 on the surface of electrocatalysts, leading to a low ammonia yield and Faraday efficiency. Inspired by the enzymatic nitrogenase process and using the Fe-Mo as the active center, here we report supported Fe2Mo3O8/XC-72 as an effective and durable electrocatalyst for the NRR. Fe2Mo3O8/XC-72 exhibited NRR activity with an NH3 yield of 30.4 μg·h−1·mg−1 (−0.3 V) and a Faraday efficiency of 8.2% (−0.3 V). Theoretical calculations demonstrated that the electrocatalytic nitrogen fixation mechanism involved the Fe atom in the Fe2Mo3O8/XC-72 electrocatalyst acting as the main active site in the enzymatic pathway (*NH2 → *NH3), which activated nitrogen molecules and promoted the NRR performance. UR - https://doi.org/10.1007/s12274-022-4262-1 DO - 10.1007/s12274-022-4262-1