期刊
CHEMICAL SCIENCE
卷 10, 期 45, 页码 10543-10549出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9sc02930c
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资金
- National Science Foundation Designing Materials to Revolutionize and Engineer our Future (NSF DMREF) program [1627428, 1627453, 1627925]
- NSF-MRI awards [CHE-0319176, CHE-1625732]
- Direct For Mathematical & Physical Scien [1627428] Funding Source: National Science Foundation
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1627925] Funding Source: National Science Foundation
- Division Of Materials Research [1627428] Funding Source: National Science Foundation
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1627453] Funding Source: National Science Foundation
Herein, we describe the design and synthesis of a suite of molecules based on a benzodithiophene universal crystal engineering core. After computationally screening derivatives, a trialkylsilylethyne-based crystal engineering strategy was employed to tailor the crystal packing for use as the active material in an organic field-effect transistor. Electronic structure calculations were undertaken to reveal derivatives that exhibit exceptional potential for high-efficiency hole transport. The promising theoretical properties are reflected in the preliminary device results, with the computationally optimized material showing simple solution processing, enhanced stability, and a maximum hole mobility of 1.6 cm(2) V-1 s(-1).
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