2011 Fiscal Year Final Research Report
Theoretical study of materials with regulated nano spaces
| Project Area | New Materials Science Using Regulated Nano Spaces －Strategy in Ubiquitous Elements |
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| Project/Area Number |
19051016
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| Research Category |
Grant-in-Aid for Scientific Research on Priority Areas
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | The University of Tokyo (2008-2011)
The Institute of Physical and Chemical Research (2007) |
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Principal Investigator |
ARITA Ryotaro 東京大学, 大学院・工学系研究科, 准教授 (80332592)
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| Co-Investigator(Kenkyū-buntansha) |
AOKI Hideo 東京大学, 大学院・理学系研究科, 教授 (50114351)
MARUYAMA Shigeo 東京大学, 大学院・工学系研究科, 教授 (90209700)
KUSAKABE Kouichi 大阪大学, 大学院・基礎工学研究科, 准教授 (10262164)
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| Co-Investigator(Renkei-kenkyūsha) |
TSUNEYUKI Shinji 東京大学, 大学院・理学系研究科, 教授 (90197749)
MIYAKE Takashi 独立行政法人産業技術総合研究所, ナノシステム研究部門, 主任研究員 (30332638)
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| Project Period (FY) |
2007 – 2011
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| Keywords | ゼオライト / フラーレン / カーボンナノチューブ / ゼオライト鋳型炭素 / 芳香族超伝導体 / 強相関効果 / 第一原理電子状態計算 / 分子動力学シミュレーション |
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| Research Abstract |
Exploiting the huge degrees of freedom of the crystal structure and inner nano space, we theoretically explored novel physical properties and functionalities of materials with regulated nano spaces, such as zeolites, fullerenes, carbon nanotubes, zeolite template carbon, and newly discovered aromatic superconductors. Based on the superatom picture, we derived an effective low energy model by non-empirical method, and studied magnetic, electromagnetic, and superconducting properties of these compounds systematically.
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