将苯并噻吩并[3,2-b]苯并呋喃衍生物与单壁碳纳米管复合以增强热电性能,Molecules

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将苯并噻吩并[3,2-b]苯并呋喃衍生物与单壁碳纳米管复合以增强热电性能
Molecules ( IF 4.2 ) Pub Date : 2023-09-08 , DOI: 10.3390/molecules28186519
Yiyang Li ₁ , Liankun Ai ₁ , Qunyi Luo ₁ , Xin Wu ₁ , Baolin Li ₁ , Cun-Yue Guo ₁

Affiliation

尽管在过去十年中已经开发了许多有机材料和单壁碳纳米管（SWCNT）的热电（TE）复合材料，但大多数研究都与聚合物有关，而没有太多关于有机小分子（OSM）的研究。本工作合成了苯并噻吩并[3,2-b]苯并呋喃（BTBF）及其衍生物（BTBF-Br和BTBF-2Br），并制备了它们与SWCNT的TE复合材料。研究发现，在BTBF上引入吸电子Br基团后，BTBF、BTBF-Br和BTBF-2Br的最高分子轨道能级和带隙(Eg)逐渐降低。这些变化显着提高了 OSM/SWCNT 复合材料的塞贝克系数和功率因数 (PF)。BTBF-2Br和SWCNT之间适当的能垒促进了能量过滤效应，这进一步有助于增强复合材料的热电性能。SWCNT和具有最小Eg（4.192 eV）的BTBF-2Br复合材料除了具有良好的机械柔性和热稳定性外，还具有最佳的热电性能，室温功率因数为169.70 ± 3.46 μW m−1 K−2。该研究为制备具有改善热电性能的OSM/SWCNT复合材料提供了可行的策略。

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Compositing Benzothieno[3,2-b]Benzofuran Derivatives with Single-Walled Carbon Nanotubes for Enhanced Thermoelectric Performance

Although numerous thermoelectric (TE) composites of organic materials and single-walled carbon nanotubes (SWCNTs) have been developed in the past decade, most of the research has been related to polymers without much on organic small molecules (OSMs). In this work, benzothieno[3,2-b]benzofuran (BTBF) and its derivatives (BTBF-Br and BTBF-2Br) were synthesized and their TE composites with SWCNTs were prepared. It is found that the highest molecular orbital level and band gap (Eg) of BTBF, BTBF-Br, and BTBF-2Br gradually decrease upon the introduction of electron-withdrawing Br group on BTBF. These changes significantly improve the Seebeck coefficient and power factor (PF) of OSM/SWCNT composites. An appropriate energy barrier between BTBF-2Br and SWCNTs promotes the energy filtering effect, which further contributes to the enhancement of composites’ thermoelectric properties. The composites of SWCNTs and BTBF-2Br with the smallest Eg (4.192 eV) afford the best thermoelectric performance with the room temperature power factor of 169.70 ± 3.46 μW m−1 K−2 in addition to good mechanical flexibility and thermal stability. This study provides a feasible strategy for the preparation of OSM/SWCNT composites with improved thermoelectric properties.

更新日期：2023-09-10

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