Songliang Liu¹, Weixin Miao¹, Kun Ma¹, Huaifang Teng¹, Xu Zhang¹, Jialin Li¹, Wenzhen Li², Xuejing Cui¹, and Luhua Jiang¹*

¹ Electrocatalysis & Nanomaterial Laboratory, College of Materials Science and Engineering, Qingdao University of Science and Technology, Qingdao 266042, China

² Department of Chemical & Biological Engineering, Iowa State University, Ames, IA 50011-1098, Unites States.

* Corresponding author: luhuajiang@qust.edu.cn

ABSTRACT:

Electrocatalytic nitrate reduction to high value-added ammonia is an attractive alternative route for the traditional Haber-Bosch process that operates under harsh conditions, yet suffers from unsatisfied efficiency and selectivity due to multiple intermediates as well as the competitive hydrogen evolution reaction. Herein, we report a unique defect-rich AuCu@Ag nanowires (AuCu@Ag NWs) with exclusive strain effect as an efficient electrocatalyst for nitrate reduction reaction (NO₃^–RR). DFT theoretical investigation manifests that the Ag atomic shell deposited layer-by-layer on AuCu NWs generates exclusive strain effect that accelerates the adsorption of NO₃^– and reaction intermediates, thereby enhances the NO₃^–RR activity. This work opens up new avenues for rational construction of high-performance NO₃^–RR electrocatalysts by synergistically modulating the electronic configuration of the active atoms through defect and strain engineering.

KEYWORDS: AuCu@Ag nanowires, defect engineering, strain engineering, core-shell structure, nitrate reduction reaction

https://doi.org/10.1016/j.apcatb.2024.123919