| Project/Area Number |
24750044
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Organic chemistry
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| Research Institution | Osaka Prefecture University |
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Principal Investigator |
OHTA Eisuke 大阪府立大学, 工学(系)研究科(研究院), 助教 (20550320)
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| Project Period (FY) |
2012-04-01 – 2014-03-31
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| Project Status |
Completed (Fiscal Year 2013)
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| Budget Amount *help |
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2013: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2012: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
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| Keywords | 有機電子アクセプター / 有機半導体 / 有機薄膜太陽電池 / ヘテロ環 / シロール / pi共役系 / 有機アクセプター / 低HOMO-LUMOギャップ分子 |
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| Research Abstract |
The rarity of high-performance n-type organic semiconductors still remains major issue in the research field of organic electronics. In this work, we performed theoretical study on the electronic properties of cyclic tri- and tetrathienylene and their Si-bridged derivatives to explore new molecular framework of n-type organic semiconductors. Theoretical quantum calculations revealed that the LUMO levels of Si-bridged cyclic tri- and tetrathienylenes are both lower than those of the corresponding not-bridged compounds, respectively. Moreover, the reorganization energies for electron-transfer processes of between neutral and radical anion state of Si-bridged compounds, which are important factors affecting efficiency of the process in a hopping mechanism, were estimated to be 0.334 and 0.232 eV, respectively. These features may be advantageous for electron transfer from radical anions to the corresponding neutral species in the solid states.
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