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Atomistic elucidation and control of the mechanical and thermal properties of nanocarbon hybrid structures

Research Project

Project/Area Number 15K05674
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Materials/Mechanics of materials
Research InstitutionThe University of Electro-Communications

Principal Investigator

SHINTANI Kazuhito  電気通信大学, 大学院情報理工学研究科, 教授 (00162793)

Research Collaborator IWATA Takuya  
SASAKI Ryo  
Mouri Keiichiro  
KATSU Hakuyo  
JOKO Yusuke  
YAMAZAKI Shota  
Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2017: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2015: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywordsナノカーボン材料 / カーボンナノチューブ / 多環芳香族炭化水素 / ダイマー / グラフェン / ナノカーボン複合フィルム / リーバーグラフェン / ファンデルワールスヘテロ2層 / 積層構造 / 自己組織化 / 六方晶窒化ホウ素 / 熱伝導度 / フォノン / ナノカーボン複合構造体 / グラフェンナノリボン / 熱整流 / ピラードグラフェン / インデンテーション / コロネン内包CNT / スマネン内包CNT / グラフェン-CNT複合フィルム / リバーグラフェン
Outline of Final Research Achievements

The properties of nanocarbon hybrids were investigated via molecular dynamics simulation. It was shown that polycyclic aromatic hydrocarbons (PAHs) are spontaneously encapsulated into a carbon nanotube, and form dimers which fill the CNT and result in a PAH stack. Indentation simulation for graphene-CNT hybrid films revealed the hybrid film of a single CNT-array exhibits softening at large deflections, while the hybrid film of two CNT-arrays exhibits hardening at large deflections. Tensile test for rebar graphene showed that graphene is strengthened via CNTs which are arranged at their grain boundaries. The thermal conductivity (TC) of a graphene/hBN heterobilayer with interlayer sp3 bonds is calculated, and it was shown that its TC is sharply reduced by the existence of interlayer sp3 bonds, and the TC has its minimum.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (28 results)

All 2018 2017 2016 2015

All Journal Article (7 results) (of which Peer Reviewed: 7 results,  Acknowledgement Compliant: 5 results,  Open Access: 1 results) Presentation (21 results) (of which Int'l Joint Research: 6 results)

  • [Journal Article] Reduction of the thermal conductivity of a graphene/hBN heterobilayer via interlayer sp3 bonds2018

    • Author(s)
      T. Iwata and K. Shintani
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 20 Issue: 7 Pages: 5217-5226

    • DOI

      10.1039/c7cp07345c

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Dynamic encapsulation of corannulene molecules into a single-walled carbon nanotube2017

    • Author(s)
      Y. Joko, R. Sasaki, and K. Shintani
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 19 Issue: 40 Pages: 27704-27715

    • DOI

      10.1039/c7cp05542k

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Hardness of Pillared-Graphene Nanostructures via Indentation Simulation2016

    • Author(s)
      R. Sasaki and K. Shintani
    • Journal Title

      MRS Advances

      Volume: 2 Issue: 1 Pages: 45-50

    • DOI

      10.1557/adv.2016.634

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Thermal Rectification Characteristics of Graphene Nanoribbons of Asymmetric Geometries2016

    • Author(s)
      T. Iwata and K. Shintani
    • Journal Title

      MRS Advances

      Volume: 2 Issue: 1 Pages: 15-20

    • DOI

      10.1557/adv.2016.623

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Geometrical constraint on stacking of polycyclic aromatic hydrocarbon molecules encapsulated in a single-walled carbon nanotube2016

    • Author(s)
      K. Mouri and K. Shintani
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 16 Issue: 45 Pages: 31043-31053

    • DOI

      10.1039/c6cp05841h

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Mechanical properties of nanocarbon hybrid films via indentation simulation2016

    • Author(s)
      T. Onodera and K. Shintani
    • Journal Title

      MRS Advances

      Volume: FirstView Articles Issue: 19 Pages: 1383-1388

    • DOI

      10.1557/adv.2016.189

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Morphology of a columnar stack of coronene molecules encapsulated in a single-walled carbon nanotube2015

    • Author(s)
      Y. Sakane, K. Mouri, and K. Shintani
    • Journal Title

      AIP Advances

      Volume: 5 Issue: 11

    • DOI

      10.1063/1.4935482

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Presentation] Sharp fall of the thermal conductivity of a van der Waals heterobilayer due to interlayer sp3 bonds2018

    • Author(s)
      T. Iwata and K. Shintani
    • Organizer
      ecnf2018 (European Conference on Nanofilms 2018)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] カーボンナノチューブによるピレン分子内包と積層構造形成2018

    • Author(s)
      佐々木 遼、新谷 一人
    • Organizer
      日本機械学会関東支部第24期総会・講演会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 粒界を有するグラフェンの力学的 ・熱的特性解析2017

    • Author(s)
      山崎 彰太、岩田 拓也、新谷 一人
    • Organizer
      日本機械学会関東支部第23期総会講演会
    • Place of Presentation
      東京理科大学葛飾キャンパス(東京都葛飾区)
    • Year and Date
      2017-03-17
    • Related Report
      2016 Research-status Report
  • [Presentation] カーボンナノチューブによるPAH分子内包過程と内部積層構造2017

    • Author(s)
      上甲 優介、佐々木 遼、新谷 一人
    • Organizer
      日本機械学会関東支部第23期総会講演会
    • Place of Presentation
      東京理科大学葛飾キャンパス(東京都葛飾区)
    • Year and Date
      2017-03-17
    • Related Report
      2016 Research-status Report
  • [Presentation] Thermal Properties of a Graphene/Hexagonal Boron Nitride Heterobilayer with Interlayer Bonds2017

    • Author(s)
      T. Iwata and K. Shintani
    • Organizer
      2017 Materials Research Society Fall Meeting
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Dynamic Encapsulation of Polycyclic Aromatic Hydrocarbons into Carbon Nanotubes2017

    • Author(s)
      R. Sasaki, Y. Joko, and K. Shintani
    • Organizer
      2017 Materials Research Society Fall Meeting
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 層間結合を有する原子層材料の熱的・力学的特性2017

    • Author(s)
      岩田 拓也、新谷 一人
    • Organizer
      日本機械学会第30回計算力学講演会(CMD2017)
    • Related Report
      2017 Annual Research Report
  • [Presentation] 有孔グラフェンによるガス分離特性解析2017

    • Author(s)
      葛 博陽、新谷 一人
    • Organizer
      日本機械学会第30回計算力学講演会(CMD2017)
    • Related Report
      2017 Annual Research Report
  • [Presentation] Do Corannulene Molecules Make a Stack in a Carbon Nanotube?2017

    • Author(s)
      Y. Joko, R. Sasaki, and K. Shintani
    • Organizer
      AEM2017 (10th International Conference on Advanced Nanomaterials)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 多環芳香族炭化水素内包カーボンナノチューブのシミュレーション2017

    • Author(s)
      佐々木 遼、新谷 一人
    • Organizer
      日本機械学会2017年度年次大会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Dynamic encapsulation of bowl-shaped π-conjugated molecules into single-walled carbon nanotubes2017

    • Author(s)
      K. Mouri, Y. Joko, R. Sasaki, and K. Shintani
    • Organizer
      JKMST2017 (The 4th Japan-Korea International Symposium on Materials Science and Technology)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] カーボンナノチューブによる多環芳香族炭化水素内包過程と内部積層形態の分子形状依存性2017

    • Author(s)
      佐々木 遼,上甲 優介,毛利 慧一郎,新谷 一人
    • Organizer
      第64回理論応用力学講演会
    • Related Report
      2017 Annual Research Report
  • [Presentation] ナノチューブによるPAH分子内包シミュレーション2017

    • Author(s)
      上甲 優介,佐々木 遼,新谷 一人
    • Organizer
      日本材料科学会主催平成29年度学術講演大会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Stacking of Polycyclic Aromatic Hydrocarbon Molecules Encapsulated in a Single-Walled Carbon Nanotube2016

    • Author(s)
      K. Mouri and K. Shintani
    • Organizer
      2016 Materials Research Society Fall Meeting
    • Place of Presentation
      Boston (United States of America)
    • Year and Date
      2016-11-28
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] カーボンナノチューブ内スマネン分子積層の構造解析2016

    • Author(s)
      毛利 慧一郎,新谷 一人
    • Organizer
      日本機械学会2016年度年次大会
    • Place of Presentation
      九州大学伊都キャンパス(福岡県福岡市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Research-status Report
  • [Presentation] 支柱型グラフェンナノ構造のインデンテーションシミュレーション2016

    • Author(s)
      佐々木 遼,新谷 一人
    • Organizer
      日本機械学会2016年度年次大会
    • Place of Presentation
      九州大学伊都キャンパス(福岡県福岡市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Research-status Report
  • [Presentation] 非対称グラフェンナノリボンの熱整流特性解析2016

    • Author(s)
      岩田 拓也、新谷 一人
    • Organizer
      日本材料科学会主催平成28年度学術講演大会
    • Place of Presentation
      産業技術総合研究所臨海副都心センター別館(東京都江東区)
    • Year and Date
      2016-06-29
    • Related Report
      2016 Research-status Report
  • [Presentation] ナノインデンテーションによるリーバーグラフェンの力学的特性解析2016

    • Author(s)
      葛 博陽、新谷 一人
    • Organizer
      日本材料科学会主催平成28年度学術講演大会
    • Place of Presentation
      産業技術総合研究所臨海副都心センター別館(東京都江東区)
    • Year and Date
      2016-06-29
    • Related Report
      2016 Research-status Report
  • [Presentation] 支柱型グラフェンナノ構造の力学的特性解析2016

    • Author(s)
      佐々木 遼、新谷一人
    • Organizer
      日本機械学会関東支部第22期総会・講演会
    • Place of Presentation
      東京工業大学(東京都・目黒区)
    • Year and Date
      2016-03-10
    • Related Report
      2015 Research-status Report
  • [Presentation] カーボンナノチューブ内コロネン積層の形成過程と構造解析2016

    • Author(s)
      毛利 慧一郎、新谷一人
    • Organizer
      日本機械学会関東支部第22期総会・講演会
    • Place of Presentation
      東京工業大学(東京都・目黒区)
    • Year and Date
      2016-03-10
    • Related Report
      2015 Research-status Report
  • [Presentation] リバーグラフェンの力学的特性解析2015

    • Author(s)
      山崎彰太、新谷一人
    • Organizer
      日本機械学会2015年度年次大会
    • Place of Presentation
      北海道大学(北海道・札幌市)
    • Year and Date
      2015-09-14
    • Related Report
      2015 Research-status Report

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Published: 2015-04-16   Modified: 2019-03-29  

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