As an energy‐saving and environmentally friendly ammonia synthesis method, electrocatalytic nitrogen reduction reaction (NRR) has received a great deal of attention. There is thus an urgent need to find high‐efficiency electrocatalysts for the NRR. In this work, a Cu/Ti₃C₂ composite catalyst was prepared and demonstrated excellent selectivity under environmental conditions, which could efficiently convert N₂ into NH₃ electrochemically. In 0.1 M KOH, Cu/Ti₃C₂ can achieve a high Faradaic efficiency of 7.31 % and a high NH₃ production rate of 3.04 μmol h⁻¹ cm⁻² at −0.5 V vs. RHE. Moreover, the material also exhibits superior electrochemical stability and durability. At the same time, density functional theory (DFT) shows that, compared with Ti₃C₂, Cu/Ti₃C₂ exhibits a wider conduction and valence band and a larger Fermi level, thus indicating that Cu plays a vital role in the enhancement of the catalytic activity and conductivity of Ti₃C₂‐based materials. This work provides a feasible strategy for designing high‐efficiency MXene‐based NRR electrocatalysts.

中文翻译：

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使用负载铜纳米粒子的二维Ti3C2 MXene电催化合成氨

作为一种节能环保的氨合成方法，电催化氮还原反应（NRR）受到了广泛的关注。因此，迫切需要为NRR寻找高效的电催化剂。在这项工作中，制备了Cu / Ti ₃ C ₂复合催化剂，并证明了其在环境条件下的优异选择性，可以有效地将N ₂电化学转化为NH ₃。在0.1M KOH，铜/ Ti的₃ c ^ ₂可以达到7.31％的高法拉第效率和高的NH ₃的3.04微摩尔h生产速率^-1 厘米^-2在-0.5V的VS。RHE。此外，该材料还表现出优异的电化学稳定性和耐久性。同时，密度泛函理论（DFT）表明，与Ti ₃ C ₂相比，Cu / Ti ₃ C ₂表现出更宽的导带和价带以及更大的费米能级，因此表明Cu在Ti / C _3中起着至关重要的作用。增强Ti ₃ C ₂基材料的催化活性和电导率。这项工作为设计基于MXene的高效NRR电催化剂提供了可行的策略。