Electrocatalytic Synthesis of Ammonia Using a 2D Ti₃ C₂ MXene Loaded with Copper Nanoparticles

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/Ti₃ C₂ 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/Ti₃ C₂ 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 Ti₃ C₂ , Cu/Ti₃ C₂ 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 Ti₃ C₂ -based materials. This work provides a feasible strategy for designing high-efficiency MXene-based NRR electrocatalysts.