Utilization of Inner Space of Carbon Nanotube for Designing Functionalized Catalysts
| Project/Area Number |
22710088
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Nanostructural science
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| Research Institution | Kyoto Institute of Technology |
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Principal Investigator |
YUMURA Takashi 京都工芸繊維大学, 工芸科学研究科, 助教 (80452374)
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| Project Period (FY) |
2010 – 2012
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| Project Status |
Completed (Fiscal Year 2012)
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| Budget Amount *help |
¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
Fiscal Year 2012: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2011: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2010: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
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| Keywords | カーボンナノチューブ / 触媒反応 / 密度汎関数法計算 / 軌道相互作用 / 遷移金属 / 密度汎関数法 / 触媒 / ナノチューブ / 制限された空間 |
|---|
| Research Abstract |
In this study, we investigated site-selective functionalization of carbon nanotubes by means of density functional theory (DFT) calculations. When some of KMnO4 add to nanotube surface, the substituents are arranged along a tube axis, to create large holes. Such holes have ability to trap metal atoms or clusters. Based on the DFT findings, we created conceptually dicopper species supported by the inner surface of a nanotube with such a hole. However, we found that it is difficult to activate O2 molecule by the inner dicopper species.
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Report
(4 results)
Research Products
(60 results)
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[Journal Article] Direct Information on Structure and Energetic Features of Cu Xe Species Formed in MFI-Type Zeolite at Room Temperature2010
Author(s)
Torigoe, H.; Mori, T.; Fujie, K.; Ohkubo, T.;Itadani, A.; Gotoh, K.; Ishida, H.; Yamashita, H.;Yumura, T.; Kobayashi, H.; Kuroda, Y.:
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Journal Title
The Journal of Physical Chemistry Letters
Volume: 1
Issue: 18
Pages: 2642-2650
DOI
Related Report
Peer Reviewed
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