Theoretical study on the defects and their dynamics in multi-wall carbon nanotube
| Project/Area Number |
17510097
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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 |
Nanomaterials/Nanobioscience
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| Research Institution | Kanazawa University |
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Principal Investigator |
ODA Tatsuki Kanazawa University, Graduate School of Natural Science and Technology, Associate Professor (30272941)
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| Co-Investigator(Kenkyū-buntansha) |
SAITO Mineo Kanazawa University, Graduate School of Natural Science and Technology, Professor (60377398)
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| Project Period (FY) |
2005 – 2007
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| Project Status |
Completed (Fiscal Year 2007)
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| Budget Amount *help |
¥2,640,000 (Direct Cost: ¥2,400,000、Indirect Cost: ¥240,000)
Fiscal Year 2007: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2006: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2005: ¥800,000 (Direct Cost: ¥800,000)
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| Keywords | nano-technology / electronics / carbon nano-tube / graphene / inherent defect / magic number / density functional theory / iron nano-wire / アームチェア型端 / ジグザグ型端 / 陽電子消滅 |
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| Research Abstract |
energy, compared with the atomic vacancy defect.
We have researched the set of chiralities for the double walled (DW) CNT which corresponds to the experimentally observed one. For the DWCNT (13, 0)@(22, 0), we have obtained the electronic structure. We have also studied the electronic structure of the CNTs which include the Fe atomic wire. At the stable geometry in which the Fe atoms form a straight wire, the Fe wire was found to be located on the wall. We have obtained a ferromagnetic alignment and a novel anti-ferromagnetic one in Fe magnetic configurations as low energy states. The anti-ferromagnet consists of the two ferromagnetic dimers which couple in anti-parallel alignment.
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Report
(4 results)
Research Products
(119 results)
