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• NbSe 2 NSA is firstly reported as an electrocatalyst for ambient NRR. • 3D nanostructures of NbSe 2 facilitate mass transport and exposure of active sites. • NbSe 2 NSA can effectively actiate N 2 molecules. As a promising alternative to the Haber–Bosch process for producing NH 3 , the electrocatalytic nitrogen reduction reaction (NRR) in the aqueous electrolyte has attracted much attention. However, the presence of sluggish reaction kinetics and competitive hydrogen evolution could result in poor activity and unsatisfactory selectivity. Herein, self-supported NbSe 2 nanosheet arrays have been prepared and tested as electrocatalysts for NH 3 electrosynthesis with a Faradaic efficiency of 13.9 ± 1.0% at −0.4 V versus the reversible hydrogen electrode (vs RHE) and a yield rate of 89.5 ± 6.0 μg h−1 mg cat. −1 at −0.45 V vs RHE in 0.1 M Na 2 SO 4 under ambient conditions. Moreover, this electrocatalyst showed excellent durability during the 60-h electrolysis (no stable decay of Faradaic efficiencies and NH 3 yield rates). Furthermore, density functional theory calculations disclosed that NbSe 2 can effectively catalyze the dissociation of the adsorbed N 2 molecule and thus promote the NRR process. [ABSTRACT FROM AUTHOR]