Wu, Zhen-YuKaramad, MohammadrezaYong, XueHuang, QizhengCullen, David A.Zhu, PengXia, ChuanXiao, QunfengShakouri, MohsenChen, Feng-YangKim, Jung Yoon (Timothy)Xia, YangHeck, KimberlyHu, YongfengWong, Michael S.Li, QilinGates, IanSiahrostami, SamiraWang, Haotian2021-06-102021-06-102021Wu, Zhen-Yu, Karamad, Mohammadreza, Yong, Xue, et al.. "Electrochemical ammonia synthesis via nitrate reduction on Fe single atom catalyst." <i>Nature Communications,</i> 12, (2021) Springer Nature: https://doi.org/10.1038/s41467-021-23115-x.https://hdl.handle.net/1911/110724Electrochemically converting nitrate, a widespread water pollutant, back to valuable ammonia is a green and delocalized route for ammonia synthesis, and can be an appealing and supplementary alternative to the Haber-Bosch process. However, as there are other nitrate reduction pathways present, selectively guiding the reaction pathway towards ammonia is currently challenged by the lack of efficient catalysts. Here we report a selective and active nitrate reduction to ammonia on Fe single atom catalyst, with a maximal ammonia Faradaic efficiency of ~ 75% and a yield rate of up to ~ 20,000 μg h−1 mgcat.−1 (0.46 mmol h−1 cm−2). Our Fe single atom catalyst can effectively prevent the N-N coupling step required for N2 due to the lack of neighboring metal sites, promoting ammonia product selectivity. Density functional theory calculations reveal the reaction mechanisms and the potential limiting steps for nitrate reduction on atomically dispersed Fe sites.engThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.Journal articles41467-021-23115-xhttps://doi.org/10.1038/s41467-021-23115-x