Electrochemical NO reduction to NH₃ on Cu single atom catalyst

Electrochemical NO reduction reaction (NORR) to generate NH₃ emerges as a fascinating approach to achieve both NO pollution mitigation and sustainable NH₃ synthesis. Herein, we demonstrate that single-atomic Cu anchored on MoS₂ (Cu₁/MoS₂) comprising Cu₁-S₃ motifs can serve as a highly efficient NORR catalyst. Cu₁/MoS₂ exhibits an NH₃ yield rate of 337.5 μmol·h⁻¹·cm⁻² with a Faradaic efficiency of 90.6% at −0.6 V vs. reversible hydrogen electrode (RHE). Combined experiments and theoretical calculations reveal that Cu₁-S₃ motifs enable the effective activation and hydrogenation of NO through a mixed pathway and simultaneously retard proton coverage, contributing to the high activity and selectivity of Cu₁/MoS₂ for the NORR.