2010 Fiscal Year Final Research Report
Theoretical studies on the deformation dynamics and electronic properties of nanostructured materials
| Project/Area Number |
20540394
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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 |
Biophysics/Chemical physics
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| Research Institution | Iwate University |
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Principal Investigator |
HASEGAWA Masayuki Iwate University, 工学部, 特任教授 (00052845)
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| Co-Investigator(Kenkyū-buntansha) |
NISHIDATE Kazume 岩手大学, 大学院・工学研究科, 准教授 (90250638)
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| Project Period (FY) |
2008 – 2010
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| Keywords | カーボンナノチューブ / グラフェン / 金属表面 / 密度汎関数理論 / 電荷移動 / 吸着 / 電子構造制御 |
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| Research Abstract |
Using the first-principles calculations based on the density functional theory (DFT), we have clarified the radial deformation characteristics of carbon nanotubes (CNTs) and the related electronic structure modifications, which are found to show universal features. We have also made systematic analyses for the transfer doping of a metallic CNT and graphene adsorbed on various metal surfaces and provided a physical interpretation of these DFT results using a newly developed phenomenological model. The present results are expected to provide a useful guideline in the future technological applications of the nanostructured carbon materials.
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Research Products
(25 results)
