2012 Fiscal Year Final Research Report
Development of New Materials by Molecular Orbital Engineering
| Project Area | New Frontier in Materials Science Opened by Molecular Degrees of Freedom |
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| Project/Area Number |
20110003
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| Research Category |
Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | Nihon University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
KATO Reizo 独立行政法人理化学研究所, 加藤分子物性研究室, 主任研究員 (80169531)
HORIUCHI Sachio 独立行政法人産業技術総合研究所, フレキシブルエレクトロニクス研究センター, チーム長 (30371074)
ISHIBASHI Shoji 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, 研究グループ長 (30356448)
NISHIBORI Eiji 独立行政法人理化学研究所, 放射光科学総合研究センター, 連携センター長 (10293672)
SAWA Hiroshi 名古屋大学, 大学院・工学研究科, 教授 (50215901)
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| Co-Investigator(Renkei-kenkyūsha) |
TERAKURA Kiyoyuki 北陸先端科学技術大学院大学, 特別招聘教授 (40028212)
KUMAI Reiji 独立行政法人産業技術総合研究所, フレキシブルエレクトロニクス研究センター, 主任研究員 (00356924)
ZHOU Biao 日本大学, 文理学部, 助教 (80434067)
YUSHIMI Kazuyoshi 東京大学, 大学院・理学系研究科, 特任研究員 (10586910)
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| Project Period (FY) |
2008 – 2012
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| Keywords | 分子性固体 / 有機導体 / 誘電体物性 / 第一原理電子状態計算 / 粉末 X線回折 / 電子密度解析 / 分子性量子スピン液体 / 単一分子性伝導体 |
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| Research Abstract |
Three groups, participating in design of new materials, calculation of the electronic structures and determination of accurate electron densities proceeded the development of new molecular materials based on molecular orbital engineering. The field of investigations covers a wide field, such as conductivity, magnetism and dielectricity.
We developed a molecular quantum spin liquid in a molecular triangular-lattice antiferromagnet and a molecular Kondo system. We also developed many molecular ferroelectric systems by using the freedom of MO and hydrogen bonds. Theoretical group preceded the first-principles theoretical calculations on single-component molecular conductors and organic ferroelectric materials. We succeeded in accurate electron density studies of key molecular crystals and X-ray powder diffraction studies of unknown crystals by using the synchrotron radiation.
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Research Products
(26 results)
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[Journal Article] A novel phosphor for glareless white light-emitting diodes2012
Author(s)
H. Daicho, T. Iwasaki, K. Enomoto, Y. Sasaki, Y. Maeno, Y. Shinomiya, S. Aoyagi, E. Nishibori, M. Sakata, H. Sawa, S. Matsuishi, H. Hosono
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Journal Title
Nature Communications
Volume: 3
Pages: 1132
Peer Reviewed
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[Journal Article] Spin-Orbital Short-Range Order on a Honeycomb-Based Lattice2012
Author(s)
S. Nakatsuji, K. Kuga, K. Kimura, R. Satake, N. Katayama, E. Nishibori, H. Sawa, R. Ishii, M. Hagiwara, F. Bridges, T. U. Ito, W. Higemoto, Y. Karaki, M. Halim, A. A. Nugroho, J. A. Rodriguez-Rivera, M. A. Green, C. Broholm
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Journal Title
Science
Volume: 336
Pages: 559-563
Peer Reviewed
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[Journal Article] A layered ionic crystal of polar Li@C_<60> superatoms2010
Author(s)
S. Aoyagi, E. Nishibori, H. Sawa, K. Sugimoto, M. Takata, Y. Miyata, R. Kitaura, H. Shinohara, H. Okada, T. Sakai, Y. Ono, K. Kawachi, K. Yokoo, S. Ono, K. Omote, Y. Kasama, S. Ishikawa, T. Komuro, H. Tobita
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Journal Title
Nature Chemistry
Volume: 2
Pages: 678-683
Peer Reviewed
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