Journal
ENERGY & ENVIRONMENTAL MATERIALS
Volume 5, Issue 4, Pages 1303-1309Publisher
WILEY
DOI: 10.1002/eem2.12247
Keywords
Boron nitride quantum dots; Density functional theory; Electrocatalytic nitrogen fixation; MXene
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Funding
- National Natural Science Foundation of China [51761024]
- Natural Science Foundation of Gansu Province [20JR10RA241]
- Longyuan Youth Innovative and Entrepreneurial Talents Project [[2021]17]
- Key Project of Education Department of Hebei Province [ZD2020339]
- Central Government Guides Local Science and Technology Development Project [206Z1003G]
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Researchers have discovered that the BN quantum dots/Ti3C2Tx-MXene heterostructure is an efficient and durable NRR catalyst, capable of producing high NH3 yield and selectivity.
Electrocatalytic N-2 fixation through N-2 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 mu g 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 N-2 activation and protonation. Meanwhile, the decorated BNQDs can block the active sites of Ti3C2Tx for hydrogen evolution, rendering a high N-2-to-NH3 selectivity.
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