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Ab initio study of organomodified silicon nanosheets

Research Project

Project/Area Number 24740297
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Biophysics/Chemical physics
Research InstitutionNational Institute of Advanced Industrial Science and Technology

Principal Investigator

MORISHITA Tetsuya  独立行政法人産業技術総合研究所, ナノ材料研究部門, 主任研究員 (10392672)

Research Collaborator SPENCER Michelle J. S.  RMIT University
中野 秀之  豊田中央研究所
Project Period (FY) 2012-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2014: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2013: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Keywordsナノシート / シリセン / シリコン / 第一原理 / 分子動力学 / 有機分子 / 有機修飾
Outline of Final Research Achievements

Silicon nanosheets are a two-dimensional nanomaterial with large lateral dimensions and thickness of only nanometers, which are considered to be promising candidates for electrodes or sensing devices. Here, we have investigated the properties of silicon nanosheets modified with phenyl, phenol, or deanol groups. We have found that these nanomaterials can be applied to electrodes in a secondary battery.

Report

(4 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • 2012 Research-status Report
  • Research Products

    (19 results)

All 2015 2014 2013 Other

All Journal Article (7 results) (of which Peer Reviewed: 7 results,  Open Access: 1 results) Presentation (11 results) (of which Invited: 3 results) Remarks (1 results)

  • [Journal Article] Mechanochemical lithiation of layered polysilane2014

    • Author(s)
      M. Ohashi, H. Nakano, T. Morishita, M. Spencer, Y. Ikemoto, C. Yogi, T. Ohta
    • Journal Title

      Chemical Communications

      Volume: 50 Issue: 68 Pages: 9761-9764

    • DOI

      10.1039/c4cc03850a

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effects of oxygen adsorption on the surface state of epitaxial silicene on Ag(111)2014

    • Author(s)
      Xun Xu, Jincheng Zhuang, Yi Du, Haifeng Feng, Nian Zhang, Chen Liu, Tao Lei, Jiaou Wang, Michelle Spencer, Tetsuya Morishita, Xiaolin Wang, Shi Xue Dou
    • Journal Title

      Scientific Reports

      Volume: 4 Issue: 1 Pages: 07543-07543

    • DOI

      10.1038/srep07543

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 平均力ダイナミクスによる“レア・イベント”サンプリングと自由エネルギー計算―LogMFD法の開発とその応用―2014

    • Author(s)
      森下徹也
    • Journal Title

      固体物理

      Volume: 49 Pages: 577-587

    • NAID

      40020253867

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] An ab initio approach to free-energy reconstruction using logarithmic2014

    • Author(s)
      Makoto Nakamura, Masao Obata, Tetsuya Morishita, Tatsuki Oda
    • Journal Title

      THE JOURNAL OF CHEMICAL PHYSICS

      Volume: 140 Issue: 18 Pages: 184110-184110

    • DOI

      10.1063/1.4874654

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Anion secondary batteries utilizing a reversible BF4 insertion/extraction two-dimensional Si material2014

    • Author(s)
      H. Nakano*, Y. Sugiyama, T. Morishita*, M. J. S. Spencer, I. K. Snook, Y. Kumai, and H. Okamoto
    • Journal Title

      Journal of Materials Chemistry A

      Volume: 2 Issue: 20 Pages: 7588-7592

    • DOI

      10.1039/c4ta00456f

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Interactions between stacked layers of phenyl-modified silicene2013

    • Author(s)
      M. J. S. Spencer*, Michael R Bassett, T. Morishita*, I. K. Snook, and H. Nakano
    • Journal Title

      New Journal of Physics

      Volume: 15 Issue: 12 Pages: 125018-125018

    • DOI

      10.1088/1367-2630/15/12/125018

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] A new surface and structure for silicene: Polygonal silicene formation on the Al(111) surface2013

    • Author(s)
      T. Morishita*, M. J. S. Spencer*, S. Kawamoto, and I. K. Snook
    • Journal Title

      Journal of Physical Chemistry C

      Volume: 117 Issue: 42 Pages: 22142-22148

    • DOI

      10.1021/jp4080898

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Presentation] Ag(111)表面上シリセンの酸化過程の解明II2015

    • Author(s)
      森下 徹也、Michelle Spencer
    • Organizer
      日本物理学会第70回年次大会
    • Place of Presentation
      早稲田大学
    • Year and Date
      2015-03-21 – 2015-03-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] First-principles study on two-dimensional silicon2014

    • Author(s)
      T. Morishita
    • Organizer
      The Ian Snook Conference on Chemical Physics
    • Place of Presentation
      Melbourne, Australia
    • Year and Date
      2014-12-04 – 2014-12-05
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] LogMFD法によるシリセンのAl基板上での構造転移シミュレーション2014

    • Author(s)
      森下 徹也、Michelle Spencer、川本 周平、Ian Snook
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市民会館
    • Year and Date
      2014-11-13 – 2014-11-15
    • Related Report
      2014 Annual Research Report
  • [Presentation] 対数平均力ダイナミクス(LogMFD)による自由エネルギー曲面の探索2014

    • Author(s)
      森下徹也
    • Organizer
      化学反応経路探索のニューフロンティア2014
    • Place of Presentation
      広島大学
    • Year and Date
      2014-09-20
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Ag(111)表面上シリセンの酸化過程の解明2014

    • Author(s)
      森下 徹也、Michelle Spencer
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      中部大学
    • Year and Date
      2014-09-07 – 2014-09-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] Formation of “honeycomb” and “polygonal” silicene on the Al(111) surface using logarithmic mean-force dynamics (LogMFD)2014

    • Author(s)
      T. Morishita, M. Spencer, I. Snook
    • Organizer
      Computational Science Workshop 2014
    • Place of Presentation
      つくばエポカル国際会議場
    • Year and Date
      2014-08-20 – 2014-08-22
    • Related Report
      2014 Annual Research Report
  • [Presentation] Logarithmic mean force dynamics for rare events sampling and free energy reconstruction2014

    • Author(s)
      T. Morishita
    • Organizer
      Recent Advances in Modeling Rare Events
    • Place of Presentation
      Keraka, India
    • Year and Date
      2014-05-29 – 2014-06-01
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 新しいシリセン構造のAl(111)表面上での形成2013

    • Author(s)
      森下徹也
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      徳島大学
    • Related Report
      2013 Research-status Report
  • [Presentation] Computational exploration of novel Si nanostructures

    • Author(s)
      西尾 憲吾, 尾崎泰助, 森下 徹也, 篠田 渉, 三上 益弘
    • Organizer
      8th international nanotechnology conference on communication and cooperation
    • Place of Presentation
      つくば市
    • Related Report
      2012 Research-status Report
  • [Presentation] Computational exploration of novel Si nanostructures

    • Author(s)
      西尾 憲吾, 尾崎泰助, 森下 徹也, 篠田 渉, 三上 益弘
    • Organizer
      Joint Dresden-Japan Workshop on Molecular Scale and Organic Electronic Materials
    • Place of Presentation
      Dresden
    • Related Report
      2012 Research-status Report
  • [Presentation] 分子動力学シミュレーションによる新奇Siナノ構造の探索

    • Author(s)
      西尾 憲吾, 尾崎泰助, 森下 徹也, 篠田 渉, 三上 益弘
    • Organizer
      産業技術連携推進会議 ナノテクノロジー・材料部会総会
    • Place of Presentation
      つくば市
    • Related Report
      2012 Research-status Report
  • [Remarks] 森下徹也のホームページ

    • URL

      https://staff.aist.go.jp/t-morishita/index_jp.html

    • Related Report
      2014 Annual Research Report

URL: 

Published: 2013-05-31   Modified: 2019-07-29  

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