Intermolecular coupling enhanced thermopower in single-molecule diketopyrrolopyrrole junctions
<p indent="0mm">Sorting out organic molecules with high thermopower is essential for understanding molecular thermoelectrics. The intermolecular coupling offers a unique chance to enhance the thermopower by tuning the bandgap structure of molecular devices, but the investigation of i...
| Main Authors: | , , , , , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Science Press
2022-12-01
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| Series: | National Science Open |
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| Online Access: | https://www.sciengine.com/doi/10.1360/nso/20220039 |
| _version_ | 1797808168595619840 |
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| author | Fang Chao Almughathawi Renad Wu Qingqing Cao Wenqiang Chen Hang Hou Songjun Gu Yu Zhang Hewei Zhao Yi Zheng Jueting Li Guopeng Shi Jia Liu Junyang Mao Bing-Wei Liu Zitong Lambert Colin J. Hong Wenjing |
| author_facet | Fang Chao Almughathawi Renad Wu Qingqing Cao Wenqiang Chen Hang Hou Songjun Gu Yu Zhang Hewei Zhao Yi Zheng Jueting Li Guopeng Shi Jia Liu Junyang Mao Bing-Wei Liu Zitong Lambert Colin J. Hong Wenjing |
| author_sort | Fang Chao |
| collection | DOAJ |
| description | <p indent="0mm">Sorting out organic molecules with high thermopower is essential for understanding molecular thermoelectrics. The intermolecular coupling offers a unique chance to enhance the thermopower by tuning the bandgap structure of molecular devices, but the investigation of intermolecular coupling in bulk materials remains challenging. Herein, we investigated the thermopower of diketopyrrolopyrrole (DPP) cored single-molecule junctions with different coupling strengths by varying the packing density of the self-assembled monolayers (SAM) using a customized scanning tunneling microscope break junction (STM-BJ) technique. We found that the thermopower of DPP molecules could be enhanced up to one order of magnitude with increasing packing density, suggesting that the thermopower increases with larger neighboring intermolecular interactions. The combined density functional theory (DFT) calculations revealed that the closely-packed configuration brings stronger intermolecular coupling and then reduces the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap, leading to an enhanced thermopower. Our findings offer a new strategy for developing organic thermoelectric devices with high thermopower.</p> |
| first_indexed | 2024-03-13T06:34:31Z |
| format | Article |
| id | doaj.art-f69653b965f042dfabee44573ca26bf7 |
| institution | Directory Open Access Journal |
| issn | 2097-1168 |
| language | English |
| last_indexed | 2024-03-13T06:34:31Z |
| publishDate | 2022-12-01 |
| publisher | Science Press |
| record_format | Article |
| series | National Science Open |
| spelling | doaj.art-f69653b965f042dfabee44573ca26bf72023-06-09T06:36:49ZengScience PressNational Science Open2097-11682022-12-01210.1360/nso/20220039eb33e642Intermolecular coupling enhanced thermopower in single-molecule diketopyrrolopyrrole junctionsFang Chao0Almughathawi Renad1Wu Qingqing2Cao Wenqiang3Chen Hang4Hou Songjun5Gu Yu6Zhang Hewei7Zhao Yi8Zheng Jueting9Li Guopeng10Shi Jia11Liu Junyang12Mao Bing-Wei13Liu Zitong14Lambert Colin J.15Hong Wenjing16["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China"]["Department of Physics, Lancaster University, Lancaster LA1 4YB, UK","Department of Physics, Faculty of Science, Taibah University, Madinah, Saudi Arabia"]["Department of Physics, Lancaster University, Lancaster LA1 4YB, UK"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China"]["Department of Physics, Lancaster University, Lancaster LA1 4YB, UK"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China","Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province (IKKEM), Xiamen 361005, China"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China"]["State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, China","Beijing National Laboratory for Molecular Sciences, Beijing 100190, China"]["Department of Physics, Lancaster University, Lancaster LA1 4YB, UK"]["State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China","Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province (IKKEM), Xiamen 361005, China","Beijing National Laboratory for Molecular Sciences, Beijing 100190, China"]<p indent="0mm">Sorting out organic molecules with high thermopower is essential for understanding molecular thermoelectrics. The intermolecular coupling offers a unique chance to enhance the thermopower by tuning the bandgap structure of molecular devices, but the investigation of intermolecular coupling in bulk materials remains challenging. Herein, we investigated the thermopower of diketopyrrolopyrrole (DPP) cored single-molecule junctions with different coupling strengths by varying the packing density of the self-assembled monolayers (SAM) using a customized scanning tunneling microscope break junction (STM-BJ) technique. We found that the thermopower of DPP molecules could be enhanced up to one order of magnitude with increasing packing density, suggesting that the thermopower increases with larger neighboring intermolecular interactions. The combined density functional theory (DFT) calculations revealed that the closely-packed configuration brings stronger intermolecular coupling and then reduces the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap, leading to an enhanced thermopower. Our findings offer a new strategy for developing organic thermoelectric devices with high thermopower.</p>https://www.sciengine.com/doi/10.1360/nso/20220039single-molecule electronicssingle-molecule junctionsthermopowerthermoelectric devicesintermolecular coupling |
| spellingShingle | Fang Chao Almughathawi Renad Wu Qingqing Cao Wenqiang Chen Hang Hou Songjun Gu Yu Zhang Hewei Zhao Yi Zheng Jueting Li Guopeng Shi Jia Liu Junyang Mao Bing-Wei Liu Zitong Lambert Colin J. Hong Wenjing Intermolecular coupling enhanced thermopower in single-molecule diketopyrrolopyrrole junctions National Science Open single-molecule electronics single-molecule junctions thermopower thermoelectric devices intermolecular coupling |
| title | Intermolecular coupling enhanced thermopower in single-molecule diketopyrrolopyrrole junctions |
| title_full | Intermolecular coupling enhanced thermopower in single-molecule diketopyrrolopyrrole junctions |
| title_fullStr | Intermolecular coupling enhanced thermopower in single-molecule diketopyrrolopyrrole junctions |
| title_full_unstemmed | Intermolecular coupling enhanced thermopower in single-molecule diketopyrrolopyrrole junctions |
| title_short | Intermolecular coupling enhanced thermopower in single-molecule diketopyrrolopyrrole junctions |
| title_sort | intermolecular coupling enhanced thermopower in single molecule diketopyrrolopyrrole junctions |
| topic | single-molecule electronics single-molecule junctions thermopower thermoelectric devices intermolecular coupling |
| url | https://www.sciengine.com/doi/10.1360/nso/20220039 |
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