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

• Project/Area Number: 21550007
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: The 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: ¥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.

Research Products

• [Journal Article] Theoretical Studies on Proton Transfer among High Density of Acid Groups: Surface of Zirconium Phosphate with Adsorbed Water Molecules (2011)
  • 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
• [Journal Article] Redox-responsive molecular helices with highly condensed π -clouds (2011)
  • 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
• [Journal Article] Alkali Carbonate Stabilized on Aluminosilicate via Solid Ion Exchange as a Catalyst for Diesel Soot Combustion (2011)
  • Author(s): Kimura, Riichiro; Elangovan, S. P.; Ogura, Masaru; Ushiyama, Hiroshi ; Okubo, Tatsuya
  • Journal Title: JOURNAL OF PHYSICAL CHEMISTRY C Pages: 11514892-14898
• [Journal Article] Alkali Carbonate Stabilized on Aluminosilicate via Solid Ion-exchange as a Catalyst for Diesel Soot Combustion (2011)
  • 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
  • Peer Reviewed
• [Journal Article] Redox-responsive molecular helices with highly condensed -clouds (2011)
  • 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
  • Peer Reviewed
• [Journal Article] Redox-responsive molecular helices with highly condensed II-clouds (2011)
  • 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
  • Peer Reviewed
• [Journal Article] Theoretical and Experimental Studies on Reaction Mechanism for Aerobic Alcohol Oxidation by Supported Ruthenium Hydroxide Catalysts (2010)
  • Author(s): Fumiya Nikaidou, Hiroshi Ushiyama, Kazuya Yamaguchi, Koichi Yamashita, Noritaka Mizuno
  • Journal Title: J.Phys.Chem.C Volume: 114 Pages: 10873-10880
  • Peer Reviewed
• [Journal Article] Theoretical Studies on the Mechanism of Proton Transfer at the Surface of Zirconium Phosphate (2010)
  • Author(s): Takaya Ogawa, Hiroshi Ushiyama, Koichi Yamashitaa, Ju-Myeung Lee, Takeo Yamaguchi
  • Journal Title: Chem.Lett. Volume: 39 Pages: 736-737
  • NAID: 10027182778
  • 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
• [Presentation] Theoretical Studies on Metal Oxide Nanosheet Solid Acids (2010)
  • Author(s): Hiroshi Ushiyama
  • Organizer: 13th International Conference on Theoretical Aspects of Catalysis
  • Place of Presentation: Matsushima, Japan.
• [Presentation] Theoretical Studies on Metal Oxide Nanosheet Solid Acids (2010)
  • Author(s): Hiroshi Ushiyama
  • Organizer: 13th International Conference on Theoretical Aspects of Catalysis
  • Place of Presentation: Matsushima Ichinobo Hotel, Japan
• [Presentation] Proton transfer dynamics (2010)
  • Author(s): Hiroshi Ushiyama
  • Organizer: New Frontier in Quantum Chemical Dynamics
  • Place of Presentation: Okazaki Conference Center