Ru and Fe Alloying on a Two‐Dimensional MXene Support for Enhanced Electrochemical Synthesis of Ammonia

Abstract Compared with the energy‐intensive Haber‐Bosch process, the electrocatalytic nitrogen reduction reaction (NRR) is a promising approach for sustainable ammonia production. However, the design and development of electrocatalysts with high activity and selectivity is currently a major challenge. In this work, we successfully constructed RuFe bimetallic nanoparticles on a two‐dimensional MXene support (RuFe@MXene) through a simple liquid phase reduction method. Benefiting from the rich surface chemistry and high electronic conductivity of MXene, as well as the synergistic effect between RuFe bimetals, the composite can efficiently synthesize ammonia under environmental conditions. Specifically, the NH 3 yield and Faraday efficiency of the prepared Ru 0.3 Fe 0.7 @MXene composite catalyst reaches 40.79 μg h −1 cm −2 and 15.25 % at −0.4 V vs . RHE in 0.1 M KOH, which are significantly higher than that of the previously reported Ru@MXene. Moreover, the Ru 0.3 Fe 0.7 @MXene catalyst also exhibits outstanding electrochemical stability. The density of state (DOS) and the partial density of state (PDOS) of MXene, Fe@MXene, Ru@MXene, and RuFe@MXene were calculated by DFT to explore the synergistic effect of RuFe on the nitrogen reduction performance of MXene‐based catalysts. This work guides the design of high‐performance NRR electrocatalysts in the future.