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Development of Multilevel Simulator of Dye-Sensitized Solar Cell Based on Quantum Theory

Research Project

Project/Area Number 23655169
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Functional materials/Devices
Research InstitutionTohoku University

Principal Investigator

HATAKEYAMA Nozomu  東北大学, 未来科学技術共同研究センター, 准教授 (50312666)

Project Period (FY) 2011 – 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2011: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Keywords太陽電池 / シミュレーション工学 / 化学工学
Research Abstract

Based on the original ultra-accelerated quantum chemical molecular dynamics simulaor, the career transfer simulator by the kinetic Monte Carlo method, the porous media simulator which constructs and analyzes micrometer- to millimetre-scaled mesoscopicstructures of electrode material, and the macroscopic IV characteristic simulator, a practical multilevel simulator of dye-sensitized solar cell has been developed. Especially from a viewpoint of a liquid leakage, volatility and durability, the simulator has been developed so as to perform calculation of the system using a solid electrolyte or an ionic liquid.

Report

(3 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • 2011 Research-status Report
  • Research Products

    (12 results)

All 2012 2011 Other

All Journal Article (4 results) Presentation (6 results) Remarks (2 results)

  • [Journal Article] Experiments integrated modeling of TiO_2 nanoskeleteon and its application by computational chemistry2012

    • Author(s)
      Nozomu Hatakeyama, Mari Onodera, Kotaro Okushi, Ryo Nagumo, Ryuji Miura,, Ai Suzuki, Hideyuki Tsuboi, Hiromitsu Takaba, Sumio Kozawa, Hiroshi Fukui, Mark C. Williams, Takeshi Endo, Hideki Sakai, Masahiko Abe, Naokiyo Koshikawa, and Akira Miyamoto
    • Journal Title

      Extended Abstracts of ZMPC2012 (International Symposium on Zeolites and Microporous Crystals)

      Pages: 2-2

    • Related Report
      2012 Final Research Report
  • [Journal Article] Development of experiments integrated multi-scale, multi-physics computational methods based on ultra-accelerated quantum chemical molecular dynamics for nanoskeleton TiO_2 synthesis for microgravity experiments2012

    • Author(s)
      Akira Miyamoto, Mari Onodera, Kotaro Okushi, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama,Hiromitsu Takaba, Sumio Kozawa, Hiroshi Fukui, Mark C. Williams, Masahiko Abe, and Naokiyo Koshikawa
    • Journal Title

      Extended Abstracts of ZMPC2012 (International Symposium on Zeolites and Microporous Crystals)

      Pages: 2-2

    • Related Report
      2012 Final Research Report
  • [Journal Article] Development of experiments integrated multi-scale, multi-physics computational methods based on ultra-accelerated quantum chemical molecular dynamics for nanoskeleton TiO2 synthesis for microgravity experiments2012

    • Author(s)
      Akira Miyamoto
    • Journal Title

      Extended Abstracts of ZMPC 2012

      Volume: 1

    • Related Report
      2012 Annual Research Report
  • [Journal Article] Experiments integrated modeling of TiO2 nanoskeleteon and its application by computational chemistry2012

    • Author(s)
      Nozomu Hatakeyama
    • Journal Title

      Extended Abstracts of ZMPC 2012

      Volume: 1

    • Related Report
      2012 Annual Research Report
  • [Presentation] Experiments integrated modeling of TiO_2 nanoskeleteon and its application by computational chemistry2012

    • Author(s)
      Nozomu Hatakeyama, Mari Onodera, Kotaro Okushi, Ryo Nagumo, Ryuji Miura,, Ai Suzuki, Hideyuki Tsuboi, Hiromitsu Takaba, Sumio Kozawa, Hiroshi Fukui, MarkC. Williams, Takeshi Endo, Hideki Sakai, Masahiko Abe, Naokiyo Koshikawa, and Akira Miyamoto
    • Organizer
      ZMPC2012 (International Symposium on Zeolites and Microporous Crystals)
    • Place of Presentation
      広島
    • Year and Date
      2012-07-31
    • Related Report
      2012 Final Research Report
  • [Presentation] Development of experiments integrated multi-scale, multi-physics computational methods based on ultra-accelerated quantum chemical molecular dynamics for nanoskeleton TiO2 synthesis for microgravity experiments2012

    • Author(s)
      Akira Miyamoto, Mari Onodera, Kotaro Okushi, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Sumio Kozawa, Hiroshi Fukui, Mark C. Williams, Masahiko Abe, and Naokiyo Koshikawa
    • Organizer
      ZMPC2012 (International Symposium on Zeolites and Microporous Crystals)
    • Place of Presentation
      広島
    • Year and Date
      2012-07-29
    • Related Report
      2012 Final Research Report
  • [Presentation] Development of experiments integrated multi-scale, multi-physics computational methods based on ultra-accelerated quantum chemical molecular dynamics for nanoskeleton TiO2 synthesis for microgravity experiments2012

    • Author(s)
      Akira Miyamoto
    • Organizer
      ZMPC 2012
    • Place of Presentation
      Aster Plaza, Hiroshima
    • Related Report
      2012 Annual Research Report
  • [Presentation] Experiments integrated modeling of TiO2 nanoskeleteon and its application by computational chemistry2012

    • Author(s)
      Nozomu Hatakeyama
    • Organizer
      ZMPC 2012
    • Place of Presentation
      Aster Plaza, Hiroshima
    • Related Report
      2012 Annual Research Report
  • [Presentation] 固体型色素増感太陽電池のマルチレベルシミュレーション2011

    • Author(s)
      畠山望,南雲亮,三浦隆治,鈴木愛,坪井秀行,高羽洋充,宮本明
    • Organizer
      電池討論会
    • Place of Presentation
      東京
    • Year and Date
      2011-08-20
    • Related Report
      2012 Final Research Report
  • [Presentation] 固体型色素増感太陽電池のマルチレベルシミュレーション

    • Author(s)
      畠山 望,南雲 亮,三浦 隆治,鈴木 愛,坪井 秀行,高羽 洋充,宮本 明
    • Organizer
      電池討論会
    • Place of Presentation
      東京
    • Related Report
      2011 Research-status Report
  • [Remarks] 1.2012年11月20日,文部科学省地域イノベーション戦略支援プログラム「次世代自動車宮城県エリア」の人材育成プログラム,Advanced Phase基礎において,地域企業の社会人を対象とした講義を行い、本研究に関連する成果の一部を紹介した.

    • Related Report
      2012 Final Research Report
  • [Remarks] 2.本研究成果の一部を盛り込んだ太陽電池マルチレベルシミュレータDenDen-PVが,(株)菱化システムやペガサスソフト(株)などのソフト会社を通じ,市販ソフトウェアとして国内外の大学,企業などに提供されている.

    • Related Report
      2012 Final Research Report

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Published: 2011-08-05   Modified: 2019-07-29  

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