Compositing Benzothieno[3,2-<i>b</i>]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-<i>b</i&g...
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MDPI AG
2023-09-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/28/18/6519 |
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| author | Yiyang Li Liankun Ai Qunyi Luo Xin Wu Baolin Li Cun-Yue Guo |
| author_facet | Yiyang Li Liankun Ai Qunyi Luo Xin Wu Baolin Li Cun-Yue Guo |
| author_sort | Yiyang Li |
| collection | DOAJ |
| description | 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-<i>b</i>]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 (<i>E</i><sub>g</sub>) 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 <i>E</i><sub>g</sub> (4.192 eV) afford the best thermoelectric performance with the room temperature power factor of 169.70 ± 3.46 μW m<sup>−1</sup> K<sup>−2</sup> 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. |
| first_indexed | 2024-03-10T22:25:37Z |
| format | Article |
| id | doaj.art-e70d0221bff44e1286eb2db15b094b34 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T22:25:37Z |
| publishDate | 2023-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-e70d0221bff44e1286eb2db15b094b342023-11-19T12:08:32ZengMDPI AGMolecules1420-30492023-09-012818651910.3390/molecules28186519Compositing Benzothieno[3,2-<i>b</i>]Benzofuran Derivatives with Single-Walled Carbon Nanotubes for Enhanced Thermoelectric PerformanceYiyang Li0Liankun Ai1Qunyi Luo2Xin Wu3Baolin Li4Cun-Yue Guo5School of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, ChinaSchool of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, ChinaSchool of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, ChinaSchool of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, ChinaSchool of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, ChinaSchool of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, ChinaAlthough 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-<i>b</i>]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 (<i>E</i><sub>g</sub>) 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 <i>E</i><sub>g</sub> (4.192 eV) afford the best thermoelectric performance with the room temperature power factor of 169.70 ± 3.46 μW m<sup>−1</sup> K<sup>−2</sup> 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.https://www.mdpi.com/1420-3049/28/18/6519benzothieno[3,2-<i>b</i>]benzofuranderivativessingle-walled carbon nanotubesthermoelectriccomposites |
| spellingShingle | Yiyang Li Liankun Ai Qunyi Luo Xin Wu Baolin Li Cun-Yue Guo Compositing Benzothieno[3,2-<i>b</i>]Benzofuran Derivatives with Single-Walled Carbon Nanotubes for Enhanced Thermoelectric Performance Molecules benzothieno[3,2-<i>b</i>]benzofuran derivatives single-walled carbon nanotubes thermoelectric composites |
| title | Compositing Benzothieno[3,2-<i>b</i>]Benzofuran Derivatives with Single-Walled Carbon Nanotubes for Enhanced Thermoelectric Performance |
| title_full | Compositing Benzothieno[3,2-<i>b</i>]Benzofuran Derivatives with Single-Walled Carbon Nanotubes for Enhanced Thermoelectric Performance |
| title_fullStr | Compositing Benzothieno[3,2-<i>b</i>]Benzofuran Derivatives with Single-Walled Carbon Nanotubes for Enhanced Thermoelectric Performance |
| title_full_unstemmed | Compositing Benzothieno[3,2-<i>b</i>]Benzofuran Derivatives with Single-Walled Carbon Nanotubes for Enhanced Thermoelectric Performance |
| title_short | Compositing Benzothieno[3,2-<i>b</i>]Benzofuran Derivatives with Single-Walled Carbon Nanotubes for Enhanced Thermoelectric Performance |
| title_sort | compositing benzothieno 3 2 i b i benzofuran derivatives with single walled carbon nanotubes for enhanced thermoelectric performance |
| topic | benzothieno[3,2-<i>b</i>]benzofuran derivatives single-walled carbon nanotubes thermoelectric composites |
| url | https://www.mdpi.com/1420-3049/28/18/6519 |
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