• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Science of carbon allotrope structures with 3-fold symmetric polyhedral pi conjugated molecules

Research Project

Project/Area Number 19K15520
Research Category

Grant-in-Aid for Early-Career Scientists

Allocation TypeMulti-year Fund
Review Section Basic Section 32020:Functional solid state chemistry-related
Research InstitutionNagoya University

Principal Investigator

Yoshiaki Shuku  名古屋大学, 教養教育院, 講師 (90816216)

Project Period (FY) 2019-04-01 – 2022-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2021: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2020: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2019: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Keywords分子性ハニカム構造 / バンド構造 / 分子性結晶 / 固体物性 / 炭素同素体構造 / トリプチセン誘導体
Outline of Research at the Start

炭素同素体としてよく知られるグラフェンや理論的に構造が提唱されたK4炭素は、sp2炭素のみにより構成された高い対称性の結晶構造を有する物質である。単層グラフェンの研究で急激に注目を集めたディラック電子系の物理は、理論・実験の両面から活発に研究が進められている。本研究では、この炭素同素体の物理を、炭素原子の代わりに分子を用いて展開し、分子の特性を活かしてさらに発展させる。特にトリプチセン誘導体のように立体的にπ共役系を有する分子を用いて、原子では実現困難な結晶構造・電子構造の構築を行い、それに基づく特異な物性の発現を目指す。

Outline of Final Research Achievements

The purpose of this study is to develop the unique physics of sp2 carbon allotropes like graphene by using molecules as building blocks. We have obtained highly symmetric 2D network structures of 3-fold symmetric triptycene derivatives. Systematic band calculations on these crystal structures revealed that the doubly degenerated molecular orbitals of symmetric triptycene derivatives can provide the flat band in addition to the Dirac cone.

Academic Significance and Societal Importance of the Research Achievements

立体π共役系に着目し、実験的に幾何学的な結晶構造の構築法の開拓を、理論計算からその構造に基づく特徴的な電子構造の理解を進めた本研究の成果は、物性研究や材料科学において分子の形に基づく結晶配列や多段階の酸化還元能に基づくバンドフィリング制御という研究指針を示したもので、近年注目を集める炭素同素体構造の物性開拓に資する結果と考えられる。

Report

(4 results)
  • 2021 Annual Research Report   Final Research Report ( PDF )
  • 2020 Research-status Report
  • 2019 Research-status Report
  • Research Products

    (8 results)

All 2021 2020 2019

All Journal Article (4 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 4 results) Presentation (4 results) (of which Int'l Joint Research: 2 results,  Invited: 2 results)

  • [Journal Article] 3D supramolecular chiral crystal structures of radical anion salts of (?)-NDI-Δ and possible magnetic phase diagrams2021

    • Author(s)
      Mizuno Asato、Shuku Yoshiaki、Suizu Rie、Tsuchiizu Masahisa、Awaga Kunio
    • Journal Title

      CrystEngComm

      Volume: 23 Issue: 29 Pages: 5053-5059

    • DOI

      10.1039/d1ce00628b

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA2021

    • Author(s)
      Richardson Jonathan G.、Mizuno Asato、Shuku Yoshiaki、Awaga Kunio、Robertson Neil、Morrison Carole A.、Warren Mark R.、Allan David R.、Moggach Stephen A.
    • Journal Title

      CrystEngComm

      Volume: 23 Issue: 25 Pages: 4444-4450

    • DOI

      10.1039/d1ce00577d

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Variable Host-Guest Charge-Transfer Interactions in 1D Channels Formed in a Molecule-Based Honeycomb Lattice of Phenazine Analogue of Triptycene2020

    • Author(s)
      Ushiroguchi Ryo、Shuku Yoshiaki、Suizu Rie、Awaga Kunio
    • Journal Title

      Crystal Growth & Design

      Volume: 20 Issue: 12 Pages: 7593-7597

    • DOI

      10.1021/acs.cgd.0c01176

    • NAID

      120007150163

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Effect of fluorination on the crystal and electronic structure of organometallic cyclopentadienyl-phenylenediamino-cobalt complexes2020

    • Author(s)
      Pilia Luca、Shuku Yoshiaki、Dalgleish Simon、Hofmann Detlef W.M.、Melis Nicola、Awaga Kunio、Robertson Neil
    • Journal Title

      Journal of Organometallic Chemistry

      Volume: 918 Pages: 121277-121277

    • DOI

      10.1016/j.jorganchem.2020.121277

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Honeycomb crystal structures formed by redox active benzoquinone fused triptycene derivatives2021

    • Author(s)
      Yoshiaki Shuku
    • Organizer
      Pacifichem 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] チアントレン骨格を有するトリプチセン誘導体のカチオンラジカル塩の結晶構造および物性2021

    • Author(s)
      吉行琢磨、珠玖良昭、阿波賀邦夫
    • Organizer
      日本化学会第101春季年会
    • Related Report
      2020 Research-status Report
  • [Presentation] Molecular Spin Gyroids Formed with Polyhedral pi Conjugated Molecules2020

    • Author(s)
      Yoshiaki Shuku, Asato Mizuno, Kunio Awaga
    • Organizer
      日本化学会春季年会
    • Related Report
      2019 Research-status Report
    • Invited
  • [Presentation] Honeycomb Crystal Structures Formed by Redox Active Triptycene Derivatives2019

    • Author(s)
      Yoshiaki Shuku, Kunio Awaga
    • Organizer
      The 9th International conference on Organic Electronics
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited

URL: 

Published: 2019-04-18   Modified: 2023-01-30  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi