2010 Fiscal Year Final Research Report
Theoretical study of carbon nanotube functionalization and degradation
Project/Area Number |
20550012
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Research Category |
Grant-in-Aid for Scientific Research (C)
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Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Physical chemistry
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Research Institution | Nagoya University |
Principal Investigator |
IRLE Stephan Nagoya University, 高等研究院, 特任准教授 (00432336)
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Project Period (FY) |
2008 – 2010
|
Keywords | 単層カーボンナノチューブの酸化 / 格子欠陥 / 分子動力学シミュレーション |
Research Abstract |
We studied A) the functionalization of carbon nanotubes as the result of [2+1] cycloaddition reactions to the three different types of carbon-carbon bonds in chiral nanotubes, B) the defect formation and healing of nanotubes and graphene flakes, and C) the self-repair of large holes in carbon nanostructures during exposure of C_2 molecules.
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[Journal Article]2010
Author(s)
A.J.Page, Y.Ohta, Y.Okamoto, S.Irle, K.Morokuma
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Journal Title
Acc.Chem.Res. 43
Pages: 1385
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[Journal Article]2009
Author(s)
S.C.Xu, S.Irle, M.C.Lin
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Journal Title
Journal of Physical Chemistry C 114
Pages: 8375
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