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Development of Protonics: applications to proton penetrate membrane and photo catalysts

Research Project

Project/Area Number 21550007
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionThe University of Tokyo

Principal Investigator

USHIYAMA Hiroshi  東京大学, 大学院・工学系研究科, 准教授 (40302814)

Project Period (FY) 2009 – 2011
Project Status Completed (Fiscal Year 2011)
Budget Amount *help
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2011: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2010: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2009: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Keywords理論化学 / プロトン移動 / 燃料電池 / プロトン透過膜 / 光触媒 / 電子ダイナミクス / 化学反応
Research Abstract

Proton transfer (PT) is one of the most fundamental and important reactions in chemistry and biology. It has been considered that PT is simple reaction and the reaction mechanism can be understood along the one-dimensional reaction coordinate. However, recent development of experimental and molecular dynamics simulation techniques lead to detailed investigations on PT and show that PT couples strongly with both the other slow skeleton motion and fast electronic motion. In this project, we examined the reaction mechanism of proton transfer reaction in proton penetrate membranes. As the results, it has been clearly shown that strong hydrogen bond network is important for proton transfer rate and proposed a new material with high proton transfer rate by introducing a substituent.

Report

(4 results)
  • 2011 Annual Research Report   Final Research Report ( PDF )
  • 2010 Annual Research Report
  • 2009 Annual Research Report
  • Research Products

    (12 results)

All 2012 2011 2010

All Journal Article (8 results) (of which Peer Reviewed: 5 results) Presentation (4 results)

  • [Journal Article] Theoretical Studies on Proton Transfer among High Density of Acid Groups: Surface of Zirconium Phosphate with Adsorbed Water Molecules2011

    • Author(s)
      Takaya; Ushiyama, Hiroshi; Lee, Ju Myeung; Yamaguchi, Takeo; Yamashita, Koichi
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 115 Pages: 5599-5606

    • Related Report
      2011 Annual Research Report 2011 Final Research Report
  • [Journal Article] Redox-responsive molecular helices with highly condensed π -clouds2011

    • Author(s)
      Eisuke Ohta, Hiroyasu Sato, Shinji Ando, Atsuko Kosaka, Takanori Fukushima, Daisuke Hashizume, Mikio Yamasaki, Kimiko Hasegawa, Azusa Muraoka, Hiroshi Ushiyama , Koichi Yamashita and Takuzo Aida
    • Journal Title

      Nature Chemistry

      Volume: Vol.3, No.1

    • Related Report
      2011 Final Research Report
  • [Journal Article] Alkali Carbonate Stabilized on Aluminosilicate via Solid Ion Exchange as a Catalyst for Diesel Soot Combustion2011

    • Author(s)
      Kimura, Riichiro; Elangovan, S. P.; Ogura, Masaru; Ushiyama, Hiroshi ; Okubo, Tatsuya
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY C

      Pages: 11514892-14898

    • Related Report
      2011 Final Research Report
  • [Journal Article] Alkali Carbonate Stabilized on Aluminosilicate via Solid Ion-exchange as a Catalyst for Diesel Soot Combustion2011

    • Author(s)
      Riichiro Kimura, S.P.Elangovan, Masaru Ogura, Hiroshi Ushiyama, Tatsuya Okubo
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 115 Issue: 30 Pages: 14892-14898

    • DOI

      10.1021/jp2034664

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Redox-responsive molecular helices with highly condensed -clouds2011

    • Author(s)
      Eisuke Ohta, Hiroyasu Sato, Shinji Ando, Atsuko Kosaka, Takanori Fukushima, Daisuke Hashizume, Mikio Yamasaki, Kimiko Hasegawa, Azusa Muraoka, Hiroshi Ushiyama, Koichi Yamashita, Takuzo Aida
    • Journal Title

      Nature Chemistry

      Volume: 3 Issue: 1 Pages: 68-73

    • DOI

      10.1038/nchem.900

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Redox-responsive molecular helices with highly condensed II-clouds2011

    • Author(s)
      Eisuke Ohta, Hiroyasu Sato, Shinji Ando, Atsuko Kosaka, Takanori Fukushima, Daisuke Hashizume, Mikio Yamasaki, Kimiko Hasegawa, Azusa Muraoka, Hiroshi Ushivama, Koichi Yamashita, Takuzo
    • Journal Title

      Nature Chemistry

      Volume: 3 Pages: 68-73

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical and Experimental Studies on Reaction Mechanism for Aerobic Alcohol Oxidation by Supported Ruthenium Hydroxide Catalysts2010

    • Author(s)
      Fumiya Nikaidou, Hiroshi Ushiyama, Kazuya Yamaguchi, Koichi Yamashita, Noritaka Mizuno
    • Journal Title

      J.Phys.Chem.C

      Volume: 114 Pages: 10873-10880

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Studies on the Mechanism of Proton Transfer at the Surface of Zirconium Phosphate2010

    • Author(s)
      Takaya Ogawa, Hiroshi Ushiyama, Koichi Yamashitaa, Ju-Myeung Lee, Takeo Yamaguchi
    • Journal Title

      Chem.Lett.

      Volume: 39 Pages: 736-737

    • NAID

      10027182778

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Presentation] 窒化タンタルの表面酸化反応と触媒活性変化の理論的研究2012

    • Author(s)
      渡部絵里子, 牛山浩, 山下晃一
    • Organizer
      日本化学会
    • Place of Presentation
      神奈川大学横浜キャンパス
    • Year and Date
      2012-03-26
    • Related Report
      2011 Annual Research Report
  • [Presentation] Theoretical Studies on Metal Oxide Nanosheet Solid Acids2010

    • Author(s)
      Hiroshi Ushiyama
    • Organizer
      13th International Conference on Theoretical Aspects of Catalysis
    • Place of Presentation
      Matsushima, Japan.
    • Related Report
      2011 Final Research Report
  • [Presentation] Theoretical Studies on Metal Oxide Nanosheet Solid Acids2010

    • Author(s)
      Hiroshi Ushiyama
    • Organizer
      13th International Conference on Theoretical Aspects of Catalysis
    • Place of Presentation
      Matsushima Ichinobo Hotel, Japan
    • Related Report
      2010 Annual Research Report
  • [Presentation] Proton transfer dynamics2010

    • Author(s)
      Hiroshi Ushiyama
    • Organizer
      New Frontier in Quantum Chemical Dynamics
    • Place of Presentation
      Okazaki Conference Center
    • Related Report
      2009 Annual Research Report

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Published: 2009-04-01   Modified: 2016-04-21  

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