Electrochemical nitrogen reduction reaction (NRR) is considered as an alternative to industrial Haber-Bosch N₂ fixation process. Herein, an iodide ion assisted one-step hydrothermal method was developed to prepare Bi₂MoO₆ nanosheets with oxygen vacancies (OVs) and low-valent bismuth at the surface. The introduction of OVs makes Bi₂MoO₆ nanosheets possess rich unsaturated coordination surface atoms, and enhances the conductivity and N₂ adsorption. Low-valent bismuth with 6p orbits reinforces the interaction with N₂ via π back-donation. The high-efficiency adsorption and protonation of N₂ over OVs-Bi₂MoO₆ catalyst was confirmed by N₂ in-situ DRFTIR spectra and temperature-programmed-desorption. The obtained OVs-Bi₂MoO₆ nanosheets accomplished a favorable ammonia yield of ∼24.38 μg·mg⁻¹ h ^− 1 and a high Faradaic efficiency of 14.1% at −0.3 V in 0.1 M HCl solution. A feasible OVs assisted π back-donation mechanism was proposed for the enhanced NRR catalytic activity on OVs-Bi₂MoO₆ catalyst.

_{电化学氮还原反应 (NRR) 被认为是工业 Haber-Bosch N 2}固定过程的替代方法。在此，开发了一种碘离子辅助的一步水热法来制备表面具有氧空位（OV）和低价铋的Bi ₂ MoO _{6纳米片。}OVs的引入使得Bi ₂ MoO ₆纳米片具有丰富的不饱和配位表面原子，增强了导电性和N ₂吸附。具有 6p 轨道的低价铋通过 π 回馈增强了与 N _{2的相互作用。}OVs-Bi ₂ MoO对N ₂的高效吸附和质子化₆催化剂通过N ₂原位DRFTIR光谱和程序升温脱附得到证实。获得的 OVs-Bi ₂ MoO ₆纳米片在 0.1 M HCl 溶液中实现了 ~24.38 μg·mg ⁻¹ h  ^{−  1}的良好氨产率和 14.1% 的高法拉第效率（-0.3 V）。_{为了增强OVs-Bi 2} MoO ₆催化剂上的NRR催化活性，提出了一种可行的OVs辅助π回供机制。