Enhancing Green Ammonia Electrosynthesis through Bi–Mo Bimetallic Oxides on Two-Dimensional Ti₃C₂T_<i>x</i> MXene under Ambient Conditions

In this paper, Bi–Mo bimetallic oxides (Bi2Mo3O12) were successfully grown on two-dimensional (2D) Ti3C2Tx MXene nanosheets by a hydrothermal reaction to form Bi2Mo3O12@Ti3C2Tx composites and used for an electrocatalytic nitrogen reduction reaction. The experimental results show that in a 0.1 M Na2SO4 electrolyte the NH3 yield rate of Bi2Mo3O12@Ti3C2Tx reaches 78.52 μg–1 mg–1cat. at −0.7 V vs RHE. This result is much higher than those of Bi2Mo3O12 (23.45 μg h–1 mg–1cat.) and Ti3C2Tx MXene (16.34 μg h–1 mg–1cat.) alone. And the Faraday efficiency (FE) of Bi2Mo3O12@Ti3C2Tx reaches the highest value of 49.38% at −0.55 V vs RHE (Bi2Mo3O12, 12.16%; Ti3C2Tx MXene, 9.3%). Meanwhile, the 1H NMR spectrum of 15N proves that the N of NH3 in the experiment comes from the N2 atmosphere passed during the experiment. Density functional theory (DFT) calculations indicate that the reduction pathway of N2 on Bi2Mo3O12@Ti3C2Tx is dominated by the distal pathway.