Single‐Atom Gold Isolated Onto Nanoporous MoSe2 for Boosting Electrochemical Nitrogen Reduction

The electrocatalytic nitrogen reduction reaction (NRR) provides a promising strategy to convert the abundant but inert N2 into NH3 using renewable energy. Herein, single-atom Au isolated onto bicontinous nanoporous MoSe2 (np-MoSe2 ) is designed as an electrocatalyst for achieving highly efficient NRR catalysis, which exhibits a high Faradaic efficiency (FE) of 37.82% and an NH3 production rate of 30.83 µg h-1 mg-1 at -0.3 V versus a reversible hydrogen electrode (RHE) in 0.1 m Na2 SO4 under ambient conditions. Experimental and theoretical investigations reveal that the introduction of single Au atoms onto np-MoSe2 optimizes the adsorption of NRR intermediates while suppressing the competing HER, thus providing an energetic-favorable process for enhancing the catalytic selectivity toward electrochemical N2 reduction into NH3 .