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Elucidation of the initial processes of organic graphoepitaxy at the molecular level

Research Project

Project/Area Number 15K04674
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Thin film/Surface and interfacial physical properties
Research InstitutionTohoku University

Principal Investigator

IKEDA Susumu  東北大学, 材料科学高等研究所, 准教授 (20401234)

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: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2015: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Keywords有機半導体 / グラフォエピタキシー / 分子動力学シミュレーション / 面内配向 / セクシチオフェン / ペンタセン
Outline of Final Research Achievements

Graphoepitaxy is an artificial epitaxial thin film growth on the substrate surfaces with artificial microstructures. Although we reported the graphoepitaxy of organic semiconductor molecules in 2006, the mechanism of the in-plane oriented growth has not been clarified. In this study, molecular dynamics (MD) simulations were applied to the elucidation of the initial processes of the organic graphoepitaxy at the molecular level. First, the models of the grooved substrates were made and behavior of organic semiconductor molecules in the groove was simulated. By MD simulations, in-plane orientations observed in the experiments were reproduced. Furthermore, the overall processes including deposition and crystallization were also reproduced in MD simulations. MD simulations worked well to visualize the movement of individual molecules and to clarify how the orientations of crystals are arranged and adjusted to the edge of the microgrooves.

Report

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

    (11 results)

All 2018 2017 2016 2015

All Journal Article (2 results) (of which Peer Reviewed: 2 results,  Open Access: 1 results,  Acknowledgement Compliant: 1 results) Presentation (9 results) (of which Int'l Joint Research: 4 results)

  • [Journal Article] Molecular dynamics simulations of graphoepitaxy of organic semiconductors, sexithiophene, and pentacene: Molecular-scale mechanisms of organic graphoepitaxy2018

    • Author(s)
      Susumu Ikeda
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 57 Issue: 3S2 Pages: 03EG04-03EG04

    • DOI

      10.7567/jjap.57.03eg04

    • NAID

      210000148758

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Grapho-epitaxial Orientation Control for Organic Molecules2016

    • Author(s)
      池田 進
    • Journal Title

      The Journal of The Institute of Electrical Engineers of Japan

      Volume: 136 Issue: 2 Pages: 74-77

    • DOI

      10.1541/ieejjournal.136.74

    • NAID

      130005121355

    • ISSN
      1340-5551, 1881-4190
    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Presentation] 有機グラフォエピタキシーの分子動力学シミュレーション 5(最終) - 溝の影響に関する総括と有機薄膜成長一般論への応用に向けた展望 -2018

    • Author(s)
      池田 進
    • Organizer
      第65回応用物理学会春季学術講演会,早稲田大学 西早稲田キャンパス(東京都新宿区)
    • Related Report
      2017 Annual Research Report
  • [Presentation] 有機グラフォエピタキシーの分子動力学シミュレーション 4 - ペンタセン分子堆積過程のシミュレーション -2017

    • Author(s)
      池田 進
    • Organizer
      第64回応用物理学会春季学術講演会
    • Place of Presentation
      パシフィコ横浜(横浜市西区)
    • Year and Date
      2017-03-14
    • Related Report
      2016 Research-status Report
  • [Presentation] Molecular dynamics simulations of graphoepitaxy of organic semiconductors2017

    • Author(s)
      Susumu Ikeda
    • Organizer
      NanoMat2017 (12th Japan-France Workshop on Nanomaterials and 3rd WPI Workshop on Materials Science), I2CNER, Kyushu University, Fukuoka, Japan
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Molecular dynamics simulations of graphoepitaxy of organic semiconductors, sexithiophene and pentacene2017

    • Author(s)
      Susumu Ikeda
    • Organizer
      E-MRS 2017 Spring Meeting, Strasbourg, France
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Molecular dynamics simulations of graphoepitaxy of organic semiconductors - Molecular-scale mechanisms of organic graphoepitaxy -2017

    • Author(s)
      Susumu Ikeda
    • Organizer
      9th International Conference on Molecular Electronics and Bioelectronics (M&BE9), Kanazawa, Ishikawa, Japan
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 有機グラフォエピタキシーの分子動力学シミュレーション 3 - 分子堆積過程のシミュレーション -2016

    • Author(s)
      池田 進
    • Organizer
      第77回応用物理学会秋季学術講演会
    • Place of Presentation
      朱鷺メッセ(新潟市中央区)
    • Year and Date
      2016-09-16
    • Related Report
      2016 Research-status Report
  • [Presentation] Graphoepitaxy of organic semiconductor thin films - experiments and simulations -2016

    • Author(s)
      Susumu Ikeda
    • Organizer
      23rd International Symposium on Metastable, Amorphous and Nanostructured Materials (ISMANAM 2016)
    • Place of Presentation
      奈良春日野国際フォーラム(奈良県奈良市)
    • Year and Date
      2016-07-04
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 有機グラフォエピタキシーの分子動力学シミュレーション 2 - 面内方位の変化を引き起こすメカニズム -2016

    • Author(s)
      池田 進
    • Organizer
      第63回 応用物理学会春季学術講演会
    • Place of Presentation
      東京工業大学(東京都・目黒区)
    • Year and Date
      2016-03-19
    • Related Report
      2015 Research-status Report
  • [Presentation] 有機グラフォエピタキシーの分子動力学シミュレーション 1 - 系のモデル化と予察的計算結果 -2015

    • Author(s)
      池田 進
    • Organizer
      第76回 応用物理学会秋季学術講演会
    • Place of Presentation
      名古屋国際会議場(愛知県・名古屋市)
    • 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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