Defect-rich AuCu@Ag nanowires with exclusive strain effect accelerate nitrate reduction to ammonia

Electrocatalytic nitrate reduction to ammonia is an attractive alternative route for the traditional Haber-Bosch process, yet suffers from unsatisfied efficiency and selectivity due to multiple intermediates as well as the competitive hydrogen evolution reaction. Herein, we report a defect-rich AuCu@Ag nanowires (AuCu@Ag NWs) with exclusive strain effect as an efficient electrocatalyst for nitrate reduction reaction (NO3–RR). AuCu@Ag NWs catalyst shows excellent electrocatalytic performance for NO3– to NH3 in the NO3–RR process, with the NH3 yield rate of 975.1 μg h−1 mg−1cat., Faraday efficiency of 96.9% and NH3 selectivity of 95.7%. 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.