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 (Cu-1/MoS2) comprising Cu-1-S-3 motifs can serve as a highly efficient NORR catalyst. Cu-1/MoS2 exhibits an NH3 yield rate of 337.5 mu mol.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 Cu-1-S-3 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 Cu-1/MoS2 for the NORR.

Automated summary

In this study, single-atomic copper anchored on molybdenum disulfide (Cu-1/MoS2) was found to be a highly efficient catalyst for electrochemical reduction of NO to NH3. Cu-1/MoS2 exhibited an NH3 yield rate of 337.5 mu mol.h(-1).cm(-2) with a Faradaic efficiency of 90.6% at -0.6 V vs. reversible hydrogen electrode (RHE). Experimental and theoretical results revealed that Cu-1-S-3 motifs enable effective activation and hydrogenation of NO, as well as retard proton coverage, leading to high activity and selectivity for NORR.