Boron Nitride Quantum Dots/Ti3C2Tx‐MXene Heterostructure For Efficient Electrocatalytic Nitrogen Fixation

Abstract

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.