| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2010: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2009: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2008: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
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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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