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
|
Allocation Type | Single-year Grants |
Research Field |
Nanostructural science
|
Research Institution | University of Tsukuba |
Principal Investigator |
|
Project Period (FY) |
2010 – 2011
|
Project Status |
Completed (Fiscal Year 2011)
|
Budget Amount *help |
¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2011: ¥1,365,000 (Direct Cost: ¥1,050,000、Indirect Cost: ¥315,000)
Fiscal Year 2010: ¥1,365,000 (Direct Cost: ¥1,050,000、Indirect Cost: ¥315,000)
|
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 / 計算物理 / 量子伝導 / ナノカーボン / 有機薄膜 / 波束 |
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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Report
(3 results)
Research Products
(25 results)