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Electronic Properties of New Nano-Carbon Materials and its Application to High Capacity Li-ion Battery

Research Project

Project/Area Number 15350114
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Functional materials/Devices
Research InstitutionNagasaki Institute of Applied Science

Principal Investigator

YAMABE Tokio  Nagasaki Institute of Applied Science, Graduate School of Engineering, Professor, 大学院・工学研究科, 教授 (80025965)

Co-Investigator(Kenkyū-buntansha) FUJII Mitsuhiro  Nagasaki Institute of Applied Science, Engineering, Professor, 工学部, 教授 (90086455)
YOSHINO Katsumi  Osaka Univ., Professor, 工学研究科, 教授 (70029205)
ISHIKAWA Shigeru  Tokai Univ., Assistance Professor, 理学部, 助教授 (90256660)
Project Period (FY) 2003 – 2004
Project Status Completed (Fiscal Year 2004)
Budget Amount *help
¥11,500,000 (Direct Cost: ¥11,500,000)
Fiscal Year 2004: ¥3,300,000 (Direct Cost: ¥3,300,000)
Fiscal Year 2003: ¥8,200,000 (Direct Cost: ¥8,200,000)
KeywordsPolycyclic aromatic hydrocarbon / Li ion secondly battery / Carbon material / Transmission electron microscope / Vibronic interaction / PAH / ナノカーボン / グラフェン構造 / リチウムイオン電池 / 水素貯蔵
Research Abstract

Theoretical study of Li-doped nano-size PAHs
The interactions between nano-size PAHs (Polycyclic aromatic hydrocarbon ) and Li are described by the quantum chemical method in order to clarify the Li storage mechanism in PAHs used in Li ion rechargeable batteries. The interaction of Li atoms with PAH layers proceeds preferentially up to the C_6Li configuration, followed by the adsorption of Li atoms on the surface and/or edge of the PAH accompanied with the deformation of carbon sheet. The characteristic vibronic interactions are also discussed in the negatively and positively charged PAH. The possibility of the fairly large interaction between H_2 molecule and Li-doped PAH has been clarified.
Preparation of PAHs
The PAHs were obtained by heat reaction of pitches in a nitrogen atmosphere at 550゜C or 650゜C for 4hrs. A large quantity of yellow vapor was produced around 350゜C. The yield of the PAHs at 550℃ and 650℃ was the same value of 43.5%.
Properties of PAHs
The lattice images of the PAHs were observed by transmission electron microscope. The (002) layer distance and the crystallize size of the pitches were measured by XRD method. The crystallize size of c-axe was 3.2nm, this value corresponds with about 10 layers of (002) plane. These results were reported in detail in "Synthetic metals, 145(2004)31.
Li ion battery using PAHs as an electrode
Li ion secondary battery cells were compounded using PAHs as activated materials of electrode. The charge and discharge characteristics of the cell using metal Li as counter electrode were measured. The charge and discharge capacity of the battery cell was 850 mAh/g and 520 mAh/g, respectively.

Report

(3 results)
  • 2004 Annual Research Report   Final Research Report Summary
  • 2003 Annual Research Report
  • Research Products

    (36 results)

All 2005 2004 2003 Other

All Journal Article (25 results) Book (2 results) Publications (9 results)

  • [Journal Article] Jahn-Teller effects and charge transfer in the positively charged triphenylene and coronene Chemical Physics Letters2005

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      Chemical Physics Letters 403

      Pages: 113-118

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] The effect of atomic substitution on the electron-phonon interactions in B, N-substiuted acenes2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 121・1

      Pages: 501-509

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Inverse isotope effects and electron-phonon coupling in the positively charged deutero- and fluoroacenes2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 120・16

      Pages: 7659-7672

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Annual Research Report 2004 Final Research Report Summary
  • [Journal Article] Electron-phonon interactions in the positively cgarged phenanthren-edge type hydrocarbons2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 120・7

      Pages: 3311-3322

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Electron-intramolecular vibronic coupling in the negatively charged cubic cluster (CF)_82004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 120・2

      Pages: 1006-1016

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Annual Research Report 2004 Final Research Report Summary
  • [Journal Article] The Structural Analysis of Various Hydro-graphene Species2004

    • Author(s)
      T.Yamabe, M.Fujii, S.Mori, H.Kinoshita, S.Yata
    • Journal Title

      Synthetic Metals 145

      Pages: 31-36

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Annual Research Report 2004 Final Research Report Summary
  • [Journal Article] Reversibly Bendable Pyrolytic Graphite Film and Its Electronic Properties2004

    • Author(s)
      H.Take, N.Nishiki, S.Yoshimura, K.Yoshino
    • Journal Title

      Japanese Journal of Applied Physics 43

      Pages: 1118-1121

    • NAID

      10012715416

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] The effect of atomic substitution on the electron-phonon interactions in B, N-substiuted acenes2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 121

      Pages: 501-509

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Inverse isotope effects and electron-phonon coupling in the positively charged deutero- and fluoroacenes2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 120

      Pages: 7659-7672

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Electron-phonon interactions in the positively charged phenanthrene-edge type hydrocarbons2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 120

      Pages: 3311-3322

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Electron-intramolecular vibronic coupling in the negatively charged cubic cluster (CF)82004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 120

      Pages: 1006-1016

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Electron-phonon interactions in the monoanions of polycyanodiene2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      The Journal of Physical Chemistry A 120

      Pages: 11223-11233

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] The essential role of H-F substitution in the electron-phonon interactions and electron transfer in the negatively charged acenes2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 121

      Pages: 2356-2366

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Recent Research Developments in Quantum Chemistry2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      Transworld Research Network

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Recent Research Developments in Physical Chemistry2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      Transworld Research Network

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Reversibly Bendable Pyrolytic Graphite Film and Its Electronic Properties2004

    • Author(s)
      H.Take, N.Nishiki, S.Yoshimura, K.Yoshino
    • Journal Title

      Japanese Journal of Applied Physic 43・3

      Pages: 1118-1121

    • NAID

      10012715416

    • Related Report
      2004 Annual Research Report
  • [Journal Article] The effect of atomic substitution on the electron-phonon interactions in B, N-substituted acenes2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 121・1

      Pages: 501-509

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Electron-phonon interactions in the positively charged phenanthrene-edge type hydrocarbons2004

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 120・7

      Pages: 3311-3322

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Electron-phonon interactions in the monoanions of fluoroacenes2003

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 119.21

      Pages: 11318-11328

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] The relationships between the electronic structures and the normal and inverse isotope effects in the electron-phonon interactions in charged cubane2003

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS 119・11

      Pages: 5680-5689

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] The essential role of the electronegativity perturbation in the electron-phonon interactions in positively charged B, N-substituted acenes

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      Chemical Physics (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Jahn-Teller effetcs in charged chlorocubane,(CCl)8

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      Chemical Physics (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] The effects of H-F and H-D substitutions on Jahn-Teller effects and charge transfer in the monocations of B, N-substituted acenes

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      Chemical Physics (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Vibronic Interactions and Possible Electron Pairing in the Photoinduced Excited Electronic States in Molecular Systems

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      The Journal of Physical Chemistry A (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Vibronic interactions in negatively charged polyacetylene

    • Author(s)
      T.Kato, T.Yamabe
    • Journal Title

      Journal of Physical Chemistry B (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Book] Recent Research Developments in Quantum Chemistry2004

    • Author(s)
      T.Kato, T.Yamabe
    • Total Pages
      32
    • Publisher
      Transworld Research Network
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Annual Research Report 2004 Final Research Report Summary
  • [Book] Recent Research Developments in Physical Chemistry2004

    • Author(s)
      T.Kato, T.Yamabe
    • Total Pages
      33
    • Publisher
      Transworld Research Network
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Annual Research Report 2004 Final Research Report Summary
  • [Publications] Takahashi Kato, Tokio Yamabe: "The relationships between the electronic structures and the normal and inverse isotope effects in the electron-phonon interactions in charged cubane"THE JOURNAL OF CHEMICAL PHYSICS. 119・11. 5680-5689 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Takahashi Kato, Tokio Yamabe: "Electron-Phonon Interactions in the monoanions of fluoroacenes"THE JOURNAL OF CHEMICAL PHYSICS. 119・21. 11318-11328 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Takahashi Kato, Tokio Yamabe: "Electron-phonon interactions in charged cubic fluorocarbon cluster, (CF)_8"The JOURNAL OF CHEMICAL PHYSICS. 120・2. 1006-1016 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Takahashi Kato, Tokio Yamabe: "Electron-intramolecular-vibration interactions in positively charged phenanthrene-edge-type hydrocarbons"THE JOURNAL OF CHEMICAL PHYSICS. 120・7. 3311-3322 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Takahashi Kato, Tokio Yamabe: "Inverse isotope effects and electron-phonon coupling in the positively charged deutero- and fluoroacenes"THE JOURNAL OF CHEMICAL PHYSICS. 120・16. 7659-7672 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Takahashi Kato, Tokio Yamabe: "Electron-phonon interactions and possible supercoductivity in charged hydrocarbons"THE JOURNAL OF CHEMICAL PHYSICS. (印刷中). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Tokio Yamabe: "The Structural Analysis of Various Hydro-Graphene Species"Synthetic Metal. 119・11. (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Takahashi, Kato, Tokio Yamabe: "Recent Research Developments in Quantum Chemistry"Transworld Research Network(6月出版予定). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Takahashi Kato, Tokio Yamabe: "Recent Research Developments in Physical Chemistry"Transworld Research Network(6月出版予定). (2004)

    • Related Report
      2003 Annual Research Report

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Published: 2003-04-01   Modified: 2016-04-21  

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