Efficient Electrocatalytic Nitrogen Fixation on FeMoO4 Nanorods

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Electroreduction of N 2 represents a promising technique for ambient NH 3 synthesis, but exploring efficient electrocatalysts for nitrogen reduction reaction (NRR) remains a key challenge. Herein, we reported our experimental and theoretical findings that FeMoO 4 could be a new candidate for effective and durable NRR in neutral solution. The developed FeMoO 4 nanorods exhibited a fascinating NRR activity with an NH 3 yield of 45.8 μg h –1 mg –1 (−0.5 V) and a Faradaic efficiency of 13.2% (−0.3 V). Mechanistic studies disclosed that Fe and Mo synergistically promoted the N 2 adsorption and accelerated the electron transfer on FeMoO 4, whereas the unsaturated 3-fold coordinated Mo (Mo 3c ) sites served as the main active centers for stabilizing the key *N 2 H intermediate and reducing the reaction energy barrier.