2009 Fiscal Year Final Research Report
Theory of nano-link molecules
| Project/Area Number |
17069013
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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 | Waseda University |
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Principal Investigator |
TSUKADA Masaru Waseda University, 原子分子材料科学高等研究機構, 教授 (90011650)
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| Co-Investigator(Kenkyū-buntansha) |
KOBAYASHI Nobuhiko 筑波大学, 大学院・数理物質科学研究科, 准教授 (10311341)
MORIKAWA Yoshitada 大阪大学, 産業科学研究所, 教授 (80358184)
TSUNEYUKI Shinji 東京大学, 大学院・理学系研究科, 教授 (90197749)
MAKOSHI Kenji 兵庫県立大学, 大学院・物質理学研究科, 教授 (10116098)
UEBA Hiromu 富山大学, 工学部, 教授 (70019214)
AKAGI Kazuto 東北大学, 原子分子材料科学高等研究機構, 准教授 (50313119)
AIZAWA Hideaki 北海道大学, 創成科学研究機構, 准教授 (60354148)
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| Project Period (FY) |
2005 – 2009
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| Keywords | ナノ表面物性 / ナノプローブ |
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| Research Abstract |
Theoretical approaches of molecular transport were developed based on the non-equilibrium green's function method using the first-principles density functional method, and applied various important organic molecular bridges forming nano-links with electrodes. By these studies, fundamental mechanism and properties of the electron transport of molecules were elucidated. Important features of inelastic electron tunneling involving the excitation of molecular vibration have been clarified and bases of inelastic tunneling spectroscopy have been established. The method treating the interaction between the electron motion and molecular vibration was developed, and with it the issues of heat generation and thermal conduction were researched. The mechanism of the transition from the coherent transport to the dissipative transport has been also clarified.
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[Journal Article] Sigma-bonding Contribution of a Srong Pi-acceptor Molecule: Surface Chemical Bond of SO2 on Ni(100)2008
Author(s)
T. Tokushima, K. Sodeyama, Y. Harada, Y. Takata, M. Nagasono, Y. Kitajima, Y. Tamenori, H. Ohashi, S. Tsuneyuki, A. Hiraya, S. Shin
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Journal Title
Phys. Rev. B 78
Pages: 085405
Peer Reviewed
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