Efficient Electrocatalytic Nitrogen Fixation on FeMoO Nanorods.

Electroreduction of N represents a promising technique for ambient NH synthesis, but exploring efficient electrocatalysts for nitrogen reduction reaction (NRR) remains a key challenge. Herein, we reported our experimental and theoretical findings that FeMoO could be a new candidate for effective and durable NRR in neutral solution. The developed FeMoO nanorods exhibited a fascinating NRR activity with an NH yield of 45.8 μg h mg (-0.5 V) and a Faradaic efficiency of 13.2% (-0.3 V). Mechanistic studies disclosed that Fe and Mo synergistically promoted the N adsorption and accelerated the electron transfer on FeMoO, whereas the unsaturated 3-fold coordinated Mo (Mo) sites served as the main active centers for stabilizing the key *NH intermediate and reducing the reaction energy barrier.