Boron Nitride Quantum Dots/Ti 3 C 2 T x ‐MXene Heterostructure For Efficient Electrocatalytic Nitrogen Fixation

Electrocatalytic N2 fixation through N2 reduction reaction (NRR) has been regarded as a promising route for sustainable NH3 synthesis, while exploring high-performing NRR catalysts is pivotal yet challenging. Herein, BN quantum dots/Ti3C2Tx-MXene (BNQDs/Ti3C2Tx) heterostructure is demonstrated as an efficient and durable NRR catalyst, exhibiting a high NH3 yield of 52.8 ± 3.3 μg h−1 mg−1 with an FE of 19.1 ± 1.6% at −0.4 V (vs. RHE), which stand at the high level among all reported BN- and MXene-based NRR catalysts. Theoretical computations reveal that the electronic interactions between BNQDs and Ti3C2Tx enrich the electron density of B atoms at the heterointerface and endow them with enhanced electron-donating capability for N2 activation and protonation. Meanwhile, the decorated BNQDs can block the active sites of Ti3C2Tx for hydrogen evolution, rendering a high N2-to-NH3 selectivity.