2011 Fiscal Year Final Research Report
Development of large-scale quantum transport simulation method and application to nano-carbon materials and organic semiconductors
| Project/Area Number |
22810003
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| Research Category |
Grant-in-Aid for Research Activity Start-up
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| Allocation Type | Single-year Grants |
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| Research Field |
Nanostructural science
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| Research Institution | University of Tsukuba |
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Principal Investigator |
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| Project Period (FY) |
2010 – 2011
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| Keywords | 伝導理論 / 時間依存 / 波束ダイナミクス / 分子動力学 / カーボンナノチューブ / グラフェン / 有機半導体 |
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| Research Abstract |
To clarify the transport properties of various materials from the atomistic viewpoint, I developed the Time-dependent Wave-packet diffusion method. Furthermore, by taking the polaron effects into account, I have succeeded in calculating transport properties of organic materials. As the results, I clarified numerically the carrier-scattering mechanism of graphene nanoribbons with realistic edge roughness and organic thin films.
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