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

• Published in: Energy & environmental materials (Hoboken, N.J.) Vol. 5; no. 4; pp. 1303 - 1309
• Main Authors: Chu, Ke, Li, Xingchuan, Tian, Ye, Li, Qingqing, Guo, Yali
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc 01.10.2022; School of Materials Science and Engineering,Lanzhou Jiaotong University,Lanzhou 730070,China%Department of Physics,College of Science,Hebei North University,Zhangjiakou 075000,China
• Subjects: Ammonia; Boron; Boron nitride; Boron nitride quantum dots; Catalysts; Chemical reduction; Chemical synthesis; Density functional theory; Electrocatalytic nitrogen fixation; Electron density; Heterostructures; Hydrogen evolution; MXene; MXenes; Nitrogen fixation; Nitrogenation; Protonation; Quantum dots; Selectivity; Density functional theory; Boron nitride quantum dots; Electrocatalytic nitrogen fixation; MXene
• ISSN: 2575-0356; 2575-0348; 2575-0356
• DOI: 10.1002/eem2.12247

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. BNQDs/Ti3C2Tx heterostructure delivered a much enhanced NRR activity compared to the individual component, attributed to the strong BNQDs‐Ti3C2Tx electronic interactions capable of enriching the electron density of heterointerfacial B atoms with enhanced electron‐donating capability for N2 activation and protonation.