| 1.Research Institution | Institute for Fundamental Chemistry | |
| 2.Research Area | Physical and Engineering Science | |
| 3.Research Field | Atomic-scale Surface and Interface Dynaics | |
| 4.Term of Project | FY1996-FY2000 | |
| 5.Project Number | 96P00206 | |
| 6.Title of Project | Cooperative Research for the Creation and Elucidation of Novel Characteristics of Nano-size Molecular System |
| Name | Institution,Department | Title of Position |
| Tokio Yamabe | Institute for Fundamental Chemistry | Research Director |
8.Core Members
| Names | Institution,Department | Title of Position |
| Hiroyasu Sato | Dept. of Chemistry, Mie University | Professor |
| Katsumi Yoshino | Dept. of Electronics, Osaka University | Professor |
| Mitsuo Ishikawa | Kurashiki Univ. of Arts and Sciences | Professor |
9.Cooperating Researchers
| Names | Institution,Department | Title of Position |
| Hisayoshi Kobayashi | Kurashiki Univ. of Arts and Sciences | Professor |
| Kazunari Yoshizawa | Dept. of Molecular Engineering, Kyoto Univ. | Associate Professor |
| Satoru Nishio | Dept. of Chemistry, Mie University | Instructor |
10.Summary of Research Results
|
We have carried out the preparation and characterization of new carbon materials as well as organosilicon materials that are expected to show novel electronic functions in future nano-sized molecular devices. Our theoretical and experimental studies led to the following results with respect to the surface and interface properties of these materials: (1) We characterized a new carbon material prepared from isotropic pitch for lithium ion battery that exhibits the highest charge-discharge ability in the world. We theoretically elucidated the structure, the lithium ion distribution, and the dynamic behavior of lithium ions on the surface of the high-performance carbon material. (2) To synthesize highly oriented uniform length of multi-walled carbon nanotubes, the control of the formation of nono-size metallic particle on the substrate and its dynamic behavior were found to be crucial, from which the best system were clarified. Based on these results large scale of carbon nanotube can be manufactured and new fields of applications will be developed. (3) A novel method using laser ablation (LA) technique under selection of wavelength was established for preparation of ultra thin films consisting of nano-sized carbon and/or molecular system. In addition, the electrochemical doping mechanism of lithium ion into the carbon films obtained by LA was elucidated by in-situ Raman spectroscopy. (4) The chemical reactions proceeding in the hydrogen-oxygen type fuel cell were investigated using Pt cluster models and the density functional method. The reaction mechanism was firstly understood in terms of five successive component reactions, and the migration of H atoms into Pt layers was found to have an important role for the activation energy of the overall reaction. (5) The physical properties of silicon dendrymers and the reaction processes of various molecular systems including gas-solid and liquid-solid interfaces were elucidated on the basis of quantum chemistry. |
11.Key Words
(1)Nano-structures、(2)Carbonaceous for Li-ion Battery、(3)Carbonaceous thin film
(4)Laser ablation、(5)Multi-layer carbon-nanotube、(6)Surface reaction of fuel cells
(7)Reaction on Si-surface、(8)Superconductivity of acenes、(9)Si-dendrimer
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| Author | Title of Article | |||
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| Journal | Volume | Year | Pages Concerned | |
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| X. Xu, et al. | NH3 Dissociative Adsorption on Si(100)-(2x1) Surface: A B3LYP Quantum Chemical Cluster Model Study | |||
| Journal | Volume | Year | Pages Concerned | |
| J. Phys. Chem. | 2001 | in press | ||
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| Organometallics | 20 | 2001 | 1056-1061 | |
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| Journal | Volume | Year | Pages Concerned | |
| Organometallics | 20 | 2001 | 1204-1209 | |
| Author | Title of Article | |||
| S. Nishio, et al. | Characterization of Polyperinaphthalenic Organic Semiconductor Thin Films Prepared by Excimer Laser Ablation and Application to Anode Electrodes for Ultra Thin Rechargeable Li Ion Batteries | |||
| Journal | Volume | Year | Pages Concerned | |
| Proceedings of SPIE | 2001 | in press | ||
| Author | Title of Article | |||
| T. Kato, et al. | Vibronic Interactions and Jahn-Teller Effects in π-conjugated Systems | |||
| Journal | Volume | Year | Pages Concerned | |
| Syn. Met. | 2001 | in press | ||
| Author | Title of Article | |||
| S. Nishio, et al. | Preparation of Polyperinaphthalene Thin Films by Excimer Laser Ablation | |||
| Journal | Volume | Year | Pages Concerned | |
| Syn. Met. | 2001 | in press | ||
| Author | Title of Article | |||
| T. Kato, et al. | Vibronic Interaction in a Copper Oxide Cluster | |||
| Journal | Volume | Year | Pages Concerned | |
| J. Chem. Phys. | submitted | |||
| Author | Title of Article | |||
| S. Nishio, et al. | Laser Ablation at 308nm for the Mixture Target of 3, 4, 9, 10- Perylenetetracarboxylic Dianhydride (PTCDA) with Co Powder- Remarkable Enhancement on Elimination Efficiency of Anhydride Groups | |||
| Journal | Volume | Year | Pages Concerned | |
| J. Photochem. Photobiol. A. Chem. | submitted | |||
| Author | Title of Article | |||
| S. Nishio, et al. | Electric Conductivity Measurement of Polyperinaphthalene Thin Films Prepared by Laser Ablation of Mixture Target of PTCDA with Co Powder | |||
| Journal | Volume | Year | Pages Concerned | |
| J. Phys. Chem. | submitted | |||
| Author | Title of Article | |||
| X. Xu, et al. | N2H4 Dissociative Adsorption on Si(100)-(2x1) Surface by Cluster Model | |||
| Journal | Volume | Year | Pages Concerned | |
| J. Phys. Chem. | submitted | |||
| Author | Title of Article | |||
| S. Ishikawa, et al. | First-Principles Study of the Lithium Insertion in Polycyclic Aromatic Hydrocarbons | |||
| Journal | Volume | Year | Pages Concerned | |
| J. Phys. Chem. | submitted | |||
| Author | Title of Article | |||
| X. Xu, et al. | Nitrogen Insertion Mechanism through NH3 Dissociative Adsorption on Si(100)-(2x1) Surface | |||
| Journal | Volume | Year | Pages Concerned | |
| J. Phys. Chem. | submitted | |||
| Author | Title of Article | |||
| T. Sato, et al. | Mechanism of Lithium Storage in Hydrogen-Rich Carbon Electrode of Lithium-Ion Battery: A Molecular Orbital Study | |||
| Journal | Volume | Year | Pages Concerned | |
| J. Phys. Chem. | submitted | |||
| Author | Title of Article | |||
| G. K. Madjarova, et al. | Band Electronic Structures of Polyphenanthrene and Polyacene Doped with Lithium | |||
| Journal | Volume | Year | Pages Concerned | |
| J. Phys. Chem. | 2001 | in press | ||
| Author | Title of Article | |||
| T. Kato, et al. | Superconductivity in Acenes | |||
| Journal | Volume | Year | Pages Concerned | |
| Phys. Rev. B | submitted | |||
| Author | Title of Article | |||
| T. Kato, et al. | Inverse Isotope Effects in the Superconductivity of Acenes: A Theoretical Study | |||
| Journal | Volume | Year | Pages Concerned | |
| Phys. Rev. Lett. | submitted | |||
| Author | Title of Article | |||
| A. Hasegawa, et al. | Electronic Structure and Crystal Orbital Overlap Populatin of Spinel Lithium Manganate LiMn2O4 | |||
| Journal | Volume | Year | Pages Concerned | |
| Solid State Ionics | submitted | |||