2010 Fiscal Year Final Research Report
Study on the Mechanism of Electron and Hole Transport in Organic Light-Emitting Diodes and Material Design for Novel Materials
| Project/Area Number |
20550163
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Functional materials/Devices
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| Research Institution | Kyoto University |
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Principal Investigator |
SATO Tohru Kyoto University, 大学院・工学研究科, 准教授 (70303865)
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| Project Period (FY) |
2008 – 2010
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| Keywords | 有機EL / キャリア輸送 / 振電相互作用 / 電子-フォノン相互作用 / 非平衡Green関数理論 / 輸送現象 |
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| Research Abstract |
Vibronic coupling constants of the carrier-transporting molecules employed in organic light-emitting diodes are evaluated using the molecular orbital and density functional methods. The results are analyzed on the basis of a concept of vibronic coupling density. They suggest that it is possible to suppress vibronic coupling for electron-density difference to be localized on atoms and to be symmetrically distributed. This design principle can lead us to carrier-transporting molecules with high mobility and low power consumption. In addition, it is shown that electron-hole or electron-electron interactions play crucial role in electron-density differences. Based on the design principle, novel hole- and electron-transporting molecules are proposed. Calculations of their vibronic couplings and non-equilibrium Green's function indicate that they are expected as a highly-efficient carrier-transporting molecule.
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[Presentation] Vibronic coupling density analysis2009
Author(s)
Tohru Sato, Ken Tokunaga, Naoya Iwahara, Katsuyuki Shizu, Motoyuki Uejima, Kazuyoshi Tanaka
Organizer
13th International Congress of Quantum Chemistry
Place of Presentation
Helsinki, Finland
Year and Date
20090622-20090627
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