The electrochemical reduction of NO₃⁻ to NH₃ holds promise for economic and environmental benefits, presenting an energy-efficient alternative to the traditional Haber–Bosch method. However, challenges exist due to its sluggish kinetics, multiple intermediates, and various reaction pathways. In this study, Mn-doped-Cu catalyst was synthesized and employed for electrochemical NO₃⁻-to-NH₃ conversion. The doping of Mn into Cu resulted in exceptional performance, achieving a FE of 95.8% and an NH₃ yield rate of 0.91 mol g⁻¹ h⁻¹ at −0.6 V in a neutral electrolyte at low NO₃⁻ concentration. Detailed experimental studies and theoretical calculations revealed that the Mn dopant enhanced the kinetic rate of NO₂⁻-to-NH₃ and induced a distinct configuration of *NO. This alteration decreased the energy barrier of *NO-to-*NOH, consequently promoting the conversion of NO₃⁻-to-NH₃.

_{NO 3} ^-电化学还原为NH ₃有望带来经济和环境效益，为传统哈伯-博世方法提供了一种节能的替代方案。然而，由于其动力学缓慢、中间体多、反应途径多样，因此存在挑战。在本研究中，合成了Mn掺杂Cu催化剂并将其用于电化学NO ₃ ^-至NH ₃转化。将Mn掺杂到Cu中产生了优异的性能，在低NO ₃ ^-浓度的中性电解质中，在-0.6 V下实现了95.8%的FE和0.91 mol g ^-1 h ^-1的NH ₃产率。详细的实验研究和理论计算表明，Mn掺杂剂增强了NO ₂ ^-转化为NH ₃的动力学速率，并诱导了*NO的独特构型。这种改变降低了*NO-to-*NOH的能垒，从而促进了NO ₃ ^-到-NH ₃的转化。