Electrocatalytic Synthesis of Ammonia Using a 2D Ti3C2 MXene Loaded with Copper Nanoparticles

Abstract 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/Ti 3 C 2 composite catalyst was prepared and demonstrated excellent selectivity under environmental conditions, which could efficiently convert N 2 into NH 3 electrochemically. In 0.1 M KOH, Cu/Ti 3 C 2 can achieve a high Faradaic efficiency of 7.31 % and a high NH 3 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 Ti 3 C 2 , Cu/Ti 3 C 2 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 Ti 3 C 2 ‐based materials. This work provides a feasible strategy for designing high‐efficiency MXene‐based NRR electrocatalysts.