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Physical properties of covalent organic frame materials

Research Project

Project/Area Number 20K05253
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 28020:Nanostructural physics-related
Research InstitutionUniversity of Tsukuba

Principal Investigator

Okada Susumu  筑波大学, 数理物質系, 教授 (70302388)

Project Period (FY) 2020-04-01 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2022: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2021: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2020: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Keywords炭素ナノ物質 / 複合構造 / 電子物性 / エネルギー論 / ナノ炭素物質 / 電子構造 / 炭化水骨格 / 炭素同素体 / 共有結合性有機骨格 / 炭化水素分子 / 共有結合性有機構造体 / 重合構造体 / 電子状態 / 物質設計
Outline of Research at the Start

本課題では、共有結合性有機構造体の構造と電子物性を計算物質科学の手法を用いて明らかにすることを目的にしている。特に、ネットワークトポロジーと電子物性の間の相関関係の解明と、得られた知見を基盤とし、特異な電子物性を有する新たな共有結合性有機構造体の物質合成の指針提示を目指す。さらに、共有結合性有機構造体からなる高次構造体にも着目し、高次構造形成による物性変調の解明、新たな高次構造と物性デザインの可能性を探索する。これらの成果の統合を行うことにより、未だ明らかになっていない共有結合性有機構造体の電子物性に対して、包括的な基礎知見の提示をおこない、当該物質に対する基礎/応用研究のさらなる進展を促す。

Outline of Final Research Achievements

Using the density functional theory, we investigated the energetics and electronic structures of polymerized hydrocarbon molecules. In particular, we predicted that 2D and 3D covalent networks of polymeric hydrocarbon molecules those were semiconductors with unique band dispersion relation near the band edges. We also found that the electronic structures of heterostructures comprising nanocarbon materials exceeded the simple superposition of that of constituent nanomaterials. Finally, we reported that the electronic structures of nanocarbon materials under an external electric field are senstive to their shape and size.

Academic Significance and Societal Importance of the Research Achievements

本課題では、炭化水素分子からなる共有結合骨格を出発物質として種々の高次構造の電子物性の解明、とくに、高次構造形成時生じる骨格間の相互作用が電子物性に及ぼす影響の解明を行った。さらに、高次構造を用いた新奇物性発現の可能性の探索も併せて起こった。その結果、このような高次構造体においては、骨格間の束縛が非共有結合的な弱い相互作用によるものでも、骨格間の微小な波動関数の混成や分極効果により、有意な電子物性変調が期待できることが明らかになった。このことは、このような共有結合性有機骨格構造体を用いた新たな物質科学の発展を促すという点で、極めて学術的に意義のある成果である。

Report

(4 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Research-status Report
  • 2020 Research-status Report
  • Research Products

    (34 results)

All 2023 2022 2021 2020 Other

All Journal Article (31 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 31 results,  Open Access: 8 results) Remarks (3 results)

  • [Journal Article] Formation of a one-dimensional hole channel in MoS2 by structural corrugation2023

    • Author(s)
      Gao Yanlin、Nakajima Haruna、Maruyama Mina、Taniguchi Takashi、Watanabe Kenji、Kitaura Ryo、Okada Susumu
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 62 Issue: 1 Pages: 015001-015001

    • DOI

      10.35848/1347-4065/acaae0

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Electronic structure of covalent networks of triangular graphene flakes embedded in hBN2023

    • Author(s)
      Zhang Hui、Maruyama Mina、Gao Yanlin、Okada Susumu
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 62 Issue: 2 Pages: 025001-025001

    • DOI

      10.35848/1347-4065/acb51d

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Unconventional gapless semiconductor in an extended martini lattice in covalent honeycomb materials2023

    • Author(s)
      Mizoguchi Tomonari、Gao Yanlin、Maruyama Mina、Hatsugai Yasuhiro、Okada Susumu
    • Journal Title

      Physical Review B

      Volume: 107 Issue: 12

    • DOI

      10.1103/physrevb.107.l121301

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Gate-Induced Trans-Dimensionality of Carrier Distribution in Bilayer Lateral Heterosheet of MoS2 and WS2 for Semiconductor Devices with Tunable Functionality2023

    • Author(s)
      Maruyama Mina、Ichinose Nanami、Gao Yanlin、Liu Zheng、Kitaura Ryo、Okada Susumu
    • Journal Title

      ACS Applied Nano Materials

      Volume: 6 Issue: 7 Pages: 5434-5439

    • DOI

      10.1021/acsanm.2c05561

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electrostatic properties of two-dimensional C60 polymer thin films under an external electric field2022

    • Author(s)
      Gao Yanlin、Maruyama Mina、Okada Susumu
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 61 Issue: 7 Pages: 075004-075004

    • DOI

      10.35848/1347-4065/ac7762

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Field induced electron emission from graphene nanostructures2022

    • Author(s)
      Gao Yanlin、Okada Susumu
    • Journal Title

      Nano Express

      Volume: 3 Issue: 3 Pages: 034001-034001

    • DOI

      10.1088/2632-959x/ac8822

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Geometric and Electronic Structures of Spiro-graphene Comprising Fused Pentagons and Octagons2022

    • Author(s)
      Okada Susumu、Cuong Nguyen Thanh、Gao Yanlin、Maruyama Mina
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 91 Issue: 2 Pages: 024602-024602

    • DOI

      10.7566/jpsj.91.024602

    • NAID

      120007193852

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] A two-dimensional magnetic carbon allotrope of hexagonally arranged fused pentagons2022

    • Author(s)
      Maruyama Mina、Gao Yanlin、Thanh Cuong Nguyen、Okada Susumu
    • Journal Title

      Applied Physics Express

      Volume: 15 Issue: 3 Pages: 035001-035001

    • DOI

      10.35848/1882-0786/ac55e8

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] All carbon p-n border in bilayer graphene by the molecular orientation of intercalated corannulene2022

    • Author(s)
      Maruyama Mina、Okada Susumu
    • Journal Title

      Journal of Applied Physics

      Volume: 131 Issue: 13 Pages: 134303-134303

    • DOI

      10.1063/5.0083616

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Electronic properties of diamond nanowires under an external electric field2022

    • Author(s)
      Gao Yanlin、Okada Susumu
    • Journal Title

      Diamond and Related Materials

      Volume: 125 Pages: 109029-109029

    • DOI

      10.1016/j.diamond.2022.109029

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Carrier distribution control in bilayer graphene under a perpendicular electric field by interlayer stacking arrangements2021

    • Author(s)
      Gao Yanlin、Okada Susumu
    • Journal Title

      Applied Physics Express

      Volume: 14 Issue: 3 Pages: 035001-035001

    • DOI

      10.35848/1882-0786/abdd76

    • Related Report
      2021 Research-status Report 2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Modulation of intertube band dispersion relation of carbon nanotube bundles by symmetry and intertube wave function coupling2021

    • Author(s)
      Okada Susumu、Gao Yanlin、Maruyama Mina
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 60 Issue: 2 Pages: 025002-025002

    • DOI

      10.35848/1347-4065/abda07

    • NAID

      120007132535

    • Related Report
      2021 Research-status Report 2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Carrier Redistribution in van der Waals Nanostructures Consisting of Bilayer Graphene and Buckybowl: Implications for Piezoelectric Devices2021

    • Author(s)
      Maruyama Mina、Okada Susumu
    • Journal Title

      ACS Applied Nano Materials

      Volume: 4 Issue: 3 Pages: 3007-3012

    • DOI

      10.1021/acsanm.1c00131

    • NAID

      120007132501

    • Related Report
      2021 Research-status Report 2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Indirect-to-direct band gap crossover of single walled MoS nanotubes2021

    • Author(s)
      Kaoru Hisama, Mina Maruyama, Shohei Chiashi, Shigeo Maruyama and Susumu Okada
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 60 Issue: 6 Pages: 065002-15

    • DOI

      10.35848/1347-4065/abffc6

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Dynamics of a charged Ne atom near graphene edges under a positive static electric field2021

    • Author(s)
      Gao Yanlin、Okada Susumu
    • Journal Title

      FlatChem

      Volume: 28 Pages: 100265-100265

    • DOI

      10.1016/j.flatc.2021.100265

    • NAID

      120007169651

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Spiro-graphene: A two-dimensional metallic carbon allotrope of fused pentagons2021

    • Author(s)
      Okada Susumu、Cuong Nguyen Thanh、Gao Yanlin、Maruyama Mina
    • Journal Title

      Carbon

      Volume: 185 Pages: 404-409

    • DOI

      10.1016/j.carbon.2021.09.033

    • NAID

      120007169661

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Geometric structure and piezoelectric polarization of MoS2 nanoribbons under uniaxial strain2021

    • Author(s)
      Maruyama Mina、Gao Yanlin、Yamanaka Ayaka、Okada Susumu
    • Journal Title

      FlatChem

      Volume: 29 Pages: 100289-100289

    • DOI

      10.1016/j.flatc.2021.100289

    • NAID

      120007169653

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Continuous Fermi level tuning of Nb-doped WSe2 under an external electric field2021

    • Author(s)
      Hisama Kaoru、Gao Yanlin、Maruyama Mina、Kitaura Ryo、Okada Susumu
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 61 Issue: 1 Pages: 015002-015002

    • DOI

      10.35848/1347-4065/ac3726

    • NAID

      120007193866

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Asymptotic behavior of the energetics and electronic structures of graphene with pyridinic defects2020

    • Author(s)
      Maruyama Mina、Okada Susumu
    • Journal Title

      Chemical Physics Letters

      Volume: 739 Pages: 136966-136966

    • DOI

      10.1016/j.cplett.2019.136966

    • NAID

      120007127678

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Momentum-selective optical absorption in triptycene molecular membrane2020

    • Author(s)
      Akita Masashi、Fujii Yasumaru、Maruyama Mina、Okada Susumu、Wakabayashi Katsunori
    • Journal Title

      Physical Review B

      Volume: 101 Issue: 8 Pages: 085418-085418

    • DOI

      10.1103/physrevb.101.085418

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Mechanical properties of carbon nanotube under uniaxial tensile strain2020

    • Author(s)
      Yoneyama Kazufumi、Maruyama Mina、Gao Yanlin、Okada Susumu
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 59 Issue: SI Pages: SIID02-SIID02

    • DOI

      10.35848/1347-4065/ab7f5a

    • NAID

      120007170578

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Structural effects on carrier doping in carbon nanotube thin-film transistors2020

    • Author(s)
      Gao Yanlin、Okada Susumu
    • Journal Title

      Journal of Applied Physics

      Volume: 127 Issue: 13 Pages: 134301-134301

    • DOI

      10.1063/5.0004886

    • NAID

      120007127615

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Topological Dirac nodal loops in nonsymmorphic hydrogenated monolayer boron2020

    • Author(s)
      N.T. Cuong, I. Tateishi, M. Cameau, M. Niibe, N. Umezawa, B. Slater, K. Yubuta, T. Kondo, M. Ogata, S. Okada, I. Matsuda,
    • Journal Title

      Phys. Rev. B

      Volume: 101 Issue: 19 Pages: 195412-195412

    • DOI

      10.1103/physrevb.101.195412

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Influence of interlayer stacking arrangements on carrier accumulation in bilayer graphene field effect transistors2020

    • Author(s)
      Gao Yanlin、Maruyama Mina、Okada Susumu
    • Journal Title

      Applied Physics Express

      Volume: 13 Issue: 6 Pages: 065006-065006

    • DOI

      10.35848/1882-0786/ab88c4

    • NAID

      120007127624

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Influence of Interlayer Stacking on Gate-Induced Carrier Accumulation in Bilayer MoS22020

    • Author(s)
      Maruyama Mina、Nagashio Kosuke、Okada Susumu
    • Journal Title

      ACS Applied Electronic Materials

      Volume: 2 Issue: 5 Pages: 1352-1357

    • DOI

      10.1021/acsaelm.0c00139

    • NAID

      120007127633

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Asymmetric carrier penetration into hexagonal boron nitride in graphene field-effect transistors2020

    • Author(s)
      Okada Susumu、MARUYAMA Mina、Gao Yanlin
    • Journal Title

      Applied Physics Express

      Volume: - Issue: 7 Pages: 075005-075005

    • DOI

      10.35848/1882-0786/ab9762

    • NAID

      120007127697

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Electronic structure of graphene under periodic uniaxial tensile strain2020

    • Author(s)
      Tomori Hikari、Maruyama Mina、Okada Susumu
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 59 Issue: 7 Pages: 075002-075002

    • DOI

      10.35848/1347-4065/ab984a

    • NAID

      120007127614

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Excitation Energy Transfer by Electron Exchange via Two-Step Electron Transfer between a Single-Walled Carbon Nanotube and Encapsulated Magnesium Porphyrin2020

    • Author(s)
      Koyama Takeshi、Sugiura Junpei、Koishi Tomonari、Ohashi Ryosuke、Asaka Koji、Saito Takeshi、Gao Yanlin、Okada Susumu、Kishida Hideo
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 124 Issue: 35 Pages: 19406-19412

    • DOI

      10.1021/acs.jpcc.0c06766

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Carrier Distribution Control in van der Waals Heterostructures of MoS2 and WS2 by Field-Induced Band-Edge Engineering2020

    • Author(s)
      Maruyama Mina、Nagashio Kosuke、Okada Susumu
    • Journal Title

      Physical Review Applied

      Volume: 14 Issue: 4 Pages: 044028-044028

    • DOI

      10.1103/physrevapplied.14.044028

    • NAID

      120007132502

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Microscopic Mechanism of Van der Waals Heteroepitaxy in the Formation of MoS2/hBN Vertical Heterostructures2020

    • Author(s)
      Okada Mitsuhiro、Maruyama Mina、Okada Susumu、Warner Jamie H.、Kureishi Yusuke、Uchiyama Yosuke、Taniguchi Takashi、Watanabe Kenji、Shimizu Tetsuo、Kubo Toshitaka、Ishihara Masatou、Shinohara Hisanori、Kitaura Ryo
    • Journal Title

      ACS Omega

      Volume: 5 Issue: 49 Pages: 31692-31699

    • DOI

      10.1021/acsomega.0c04168

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Wafer-Scale Growth of One-Dimensional Transition-Metal Telluride Nanowires2020

    • Author(s)
      Lim Hong En、Nakanishi Yusuke、Liu Zheng、Pu Jiang、Maruyama Mina、Endo Takahiko、Ando Chisato、Shimizu Hiroshi、Yanagi Kazuhiro、Okada Susumu、Takenobu Taishi、Miyata Yasumitsu
    • Journal Title

      Nano Letters

      Volume: 21 Issue: 1 Pages: 243-249

    • DOI

      10.1021/acs.nanolett.0c03456

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access
  • [Remarks] 岡田・丸山・高研究室

    • URL

      https://www.comas-tsukuba.jp

    • Related Report
      2022 Annual Research Report
  • [Remarks] 研究業績一覧

    • URL

      https://www.comas-tsukuba.jp

    • Related Report
      2021 Research-status Report
  • [Remarks] http://comas.frsc.tsukuba.ac.jp

    • Related Report
      2020 Research-status Report

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Published: 2020-04-28   Modified: 2024-01-30  

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