Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 11, Issue 2, Pages 359-365Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.9b03439
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Funding
- National Natural Science Foundation of China [51821002, 11804242, 91833303, 51672180, 51622306, 21673151]
- Natural Science Foundation of Jiangsu Province of China [BK20180845]
- Collaborative Innovation Center of Suzhou Nano Science & Technology (Nano-CIC)
- Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD)
- 111 Project
- Joint International Research Laboratory of Carbon-Based Functional Materials and Devices
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The development of crystals with bipolar transport characteristics is essential for high-performance organic field effect transistor (OFET) devices. In this work, we theoretically investigated the bipolar transport behaviors in CnBTBT-F-m, TCNQ cocrystals. It is found that bipolar transport can be realized in C8BTBT-TCNQ and C12BTBT-TCNQ cocrystals with room-temperature electron/hole mobility up to 1.8/0.75 and 2.5/1.8 cm(2) V-1 s(-1) respectively. The comparable electron- and hole-transfer integrals between the nearest-neighbor molecule pairs as well as the small hole reorganization energy of the TCNQ molecule are responsible for the balanced electron and hole mobilities. Moreover, because of the if pi-pi stacking between neighboring molecules, all cocrystals show strong anisotropic transport characteristic for both electron and hole transport with the mobility along the pi-pi stacking direction much larger than those along the other two directions. This work provides the possibility of high-performance OFET engineering and also enriches the OFET families with bipolar transport characteristics.
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