@article{Liu2022, 
author = {Guohua Liu and Lijuan Niu and Zhixue Ma and Li An and Dan Qu and Dandan Wang and Xiayan Wang and Zaicheng Sun},
title = {Fe2Mo3O8/XC-72 electrocatalyst for enhanced electrocatalytic nitrogen reduction reaction under ambient conditions},
year = {2022},
journal = {Nano Research},
volume = {15},
number = {7},
pages = {5940-5945},
keywords = {density functional theory calculations, nitrogen reduction reaction (NRR), Fe2Mo3O8/XC-72 electrocatalyst},
url = {https://www.sciopen.com/article/10.1007/s12274-022-4262-1},
doi = {10.1007/s12274-022-4262-1},
abstract = {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.}
}