Composition-Tunable Co3–xFexMo3N Electrocatalysts for the Oxygen Evolution Reaction AITranslate

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DOI：https://doi.org/10.1021/acsenergylett.3c00048

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The sluggish OER kinetics necessitates the development of highly active and durable electrocatalysts; however, an ideal alternative to expensive Ir/Ru-based and poorly conductive metal-oxide-based catalysts is absent. Herein, we demonstrate the class of nitrides prototype of Co3–xFexMo3N (0 ≤ x ≤ 3). These nitrides are cost-effective and highly conductive and have favorable composition flexibility. The optimized Co2.5Fe0.5Mo3N shows a mere overpotential of 218 mV at 10 mA cmgeo–2 and a robust durability at 100 mA cmgeo–2 over a 90-h measurement. Impressively, the water electrolyzer of Pt/C∥Co2.5Fe0.5Mo3N only requires a cell voltage of 1.52 V to afford 10 mA cmgeo–2. XPS spectra and DFT calculation reveal that the partial Fe substitution not only increases the content of the active Co3+ species of Co2.5Fe0.5Mo3N but also upshifts the d band center of the Co site toward the Fermi level, which leads to the lower absorption energy of oxygen intermediates and hence substantially promotes the OER activity.