Electrocatalytic nitrogen reduction reaction (NRR) for NH₃ generation under ambient conditions presents a promising alternative to the conventional Haber–Bosch process. Here, we report a Fe single-atom catalyst for ambient electrochemical NH₃ synthesis. This catalyst achieves high Faradaic efficiency (18.6 ± 0.8%) and NH₃ yield rate (62.9 ± 2.7 μg h⁻¹ mg_cat.⁻¹) in neutral aqueous electrolyte at room temperature and −0.4 V versus reversible hydrogen electrode. Furthermore, this catalyst exhibits a negligible activity decay during electrolysis for 24 h. X-ray absorption fine structure analyses and theoretical calculations reveal that atomically dispersed single Fe species are stabilized by N in Fe–N4 configuration, which is favorable for N₂ activation. This work opens new opportunities for developing advanced single atomic site catalysts for NH₃ synthesis via NRR.

在环境条件下用于产生NH _3的电催化氮还原反应（NRR）是常规Haber-Bosch工艺的有前途的替代方法。在这里，我们报告了用于环境电化学NH ₃合成的Fe单原子催化剂。该催化剂可实现高法拉第效率（18.6±0.8％）和NH ₃产率（62.9±2.7μgh ^-1 mg _cat。^-1））和可逆氢电极，在室温和-0.4 V的中性水性电解质中。此外，该催化剂在电解24小时后的活性衰减可忽略不计。X射线吸收精细结构分析和理论计算表明，原子分散的单个Fe物种在Fe–N4构型中被N稳定，这有利于N ₂活化。这项工作为开发通过NRR合成NH _3的高级单原子位催化剂提供了新的机会。