Insights into lattice oxygen and strains of oxide-derived copper for ammonia electrosynthesis from nitrate

Qinyue Wu, Xinfei Fan, Bing Shan, Liang Qi, Xie Quan and Yanming Liu ()
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Qinyue Wu: Dalian University of Technology
Xinfei Fan: Dalian Maritime University
Bing Shan: Zhejiang University
Liang Qi: Dalian University of Technology
Xie Quan: Dalian University of Technology
Yanming Liu: Dalian University of Technology

Nature Communications, 2025, vol. 16, issue 1, 1-12

Abstract: Abstract Electrocatalytic NO3− reduction (eNO3RR) is a sustainable method for purification of NO3− wastewater and NH3 recovery. Cu-based catalysts are promising for eNO3RR, but insufficient active hydrogen (*H) supply and *NO2 poison of active sites have hindered their performance, and the catalytic mechanism remains ambiguous. Here, we report oxide-derived copper nanosheet arrays (OD-Cu NSs) with residual lattice oxygen and lattice strains to enhance NH3 synthesis from eNO3RR. It is efficient for NH3 synthesis with high Faradaic efficiencies of 88.7-99.7% and maximum NH3 yield of 6.20 mmol·h−1·cm−2 at neutral solution, 10-140 mM NO3− and 50-1500 mA·cm−2. Experimental and theoretical results reveal that lattice oxygen regulates the electronic structure of OD-Cu NSs and promotes *NO2 conversion, while lattice strain enhances *H generation from water dissociation, resulting in the good performance for NH3 synthesis. The applicability of OD-Cu NSs is proved by the high recovery of ammonia compound from eNO3RR.

Date: 2025
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DOI: 10.1038/s41467-025-58811-5

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