Design of high efficient catalyst systems based on the understanding of reaction mechanisms at a molecular level

• Project/Area Number: 24750117
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Functional materials chemistry
• Research Institution: Shinshu University (2014); Kitasato University (2013); Hokkaido University (2012)
• Principal Investigator: UCHIDA Taro 信州大学, 先鋭領域融合研究群環境・エネルギー材料科学研究所, 助教 (70581643)
• Project Period (FY): 2012-04-01 – 2015-03-31
• Project Status: Completed (Fiscal Year 2014)
• Budget Amount: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000); Fiscal Year 2014: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000); Fiscal Year 2013: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000); Fiscal Year 2012: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
• Keywords: 電極表面反応 / 電極触媒 / 水素発生 / 表面増強赤外分光 / DFT計算 / 電極反応 / 機能性表面 / 第一原理分子動力学計算 / 水分解 / 表面機能化

Outline of Final Research Achievements

We investigated hydrogen evolution reaction (HER) on high hydrogen overpotential metal electrodes catalyzed by adsorption of some organic molecules. The mechanisms of HER acceleration by adsorption of organic molecules were investigated by surface-enhanced infrared absorption spectroscopy (SEIRAS) and DFT calculation at a molecular level. Electro-hydrogenation or oxidation of the adsorbed organic molecules and catalytic reaction of adsorbed enzyme were also investigated. As mentioned, infrared and DFT calculation clarified the structural and orientation change of adsorbed organic molecules on metal electrodes induced by applied potential at a molecular level.

Research Products

• [Journal Article] Effect of Hydrogen on The Orientation of Cinchonidine Adsorbed on Platinum: An ATR-SEIRAS study (2015)
  • Author(s): Kenta Motobayashi, Ryota Tomioka, Taro Uchida, and Masatoshi Osawa
  • Journal Title: Chemistry Letters Volume: 印刷中 Issue: 6 Pages: 770-772
  • DOI: 10.1246/cl.150158
  • NAID: 130005074586
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Biomimetic Environment to Study E-coli Complex I through Surface-Enhanced IR Absorption Spectroscopy (2014)
  • Author(s): S. Kriegel, T. Uchida, M. Osawa, T. Friedrich, and P. Hellwig
  • Journal Title: Biochemistry Volume: 53 Issue: 40 Pages: 6340-6347
  • DOI: 10.1021/bi500955a
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] The effect of pH on the electrocatalytic oxidation of formic acid/formate on platinum: A mechanistic study by surface-enhanced infrared spectroscopy coupled with cyclic voltammetry (2014)
  • Author(s): J. Joo, T. Uchida, A. Cuesta, M.T.M. Koper, M. Osawa
  • Journal Title: Electrochimica Acta Volume: 129 Pages: 127-136
  • DOI: 10.1016/j.electacta.2014.02.040
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] SEIRAS studies of water structure at the gold electrode surface in the presence of supported lipid bilayer (2014)
  • Author(s): T. Uchida, M. Osawa, J. Lipkowski
  • Journal Title: J. Electroanal. Chem. Volume: 716 Pages: 51-55
  • DOI: 10.1016/j.jelechem.2013.10.015
  • Peer Reviewed
• [Journal Article] Importance of acid－base equilibrium in electrocatalytic oxidation of formic acid on platinum (2013)
  • Author(s): J. Joo, T. Uchida, A. Cuesta, M. T. M. Koper, M. Osawa
  • Journal Title: J. Am. Chem. Soc. Volume: 135 Issue: 27 Pages: 9991-9994
  • DOI: 10.1021/ja403578s
  • Peer Reviewed
• [Journal Article] Adsorption and oxidation of glycine on Au electrode: An in situ surface-enhanced infrared study (2013)
  • Author(s): L.-C. Chen, T. Uchida, H.-C. Chang, M. Osawa
  • Journal Title: Electrochem. Commun. Volume: 34 Pages: 56-59
  • DOI: 10.1016/j.elecom.2013.05.016
  • Peer Reviewed
• [Presentation] DPP-4阻害化合物の三次元構造活性相関とそれに基づいたin silico スクリーニング (2015)
  • Author(s): 内田太郎, 北村隆浩, 山本知美, 若杉昌輝, 広野修一
  • Organizer: 日本薬学会第135年会
• [Presentation] Solid-liquid Interface Measurement by Polarization Dependence Technique of ATR-SEIRAS (2015)
  • Author(s): Taro Uchida, Takeshi Hasegawa and Masatoshi Osawa
  • Organizer: The Fourth Symposium on Carbon-based Nanoporous Materials
• [Presentation] ビピリジンを使った水素発生の電極反応に関する計算科学的考察 (2014)
  • Author(s): 池庄司民夫, 内田太郎, 大澤雅俊
  • Organizer: 2014年電気化学秋季大会
• [Presentation] ゴルジ体阻害化合物の3D-QSARに基づくFragment-Based In Silico Screening (2014)
  • Author(s): 内田太郎、山乙教之、広野修一、江頭直樹、椎名勇、藤本晶子、守谷潤、大橋愛美、旦慎吾、矢守隆夫
  • Organizer: 化学療法基盤支援活動第3回シンポジウム
• [Presentation] A Polarization Difference Technique for Surface-Enhanced Infrared Absorption Spectroscopy (2014)
  • Author(s): Taro Uchida, Takeshi Hasegawa, Masatoshi Osawa
  • Organizer: Pittcon 2014
  • Place of Presentation: McCormick Place（アメリカ）
• [Presentation] Effect of pH On the Electrocatalytic Oxidation of HCOOH/HCOO On Platinum:A Mechanistic Study (2013)
  • Author(s): Jiyong Joo, Taro Uchida, Angel Cuesta, Marc T. M. Koper, and Masatoshi Osawa
  • Organizer: 224th ECS Meeting
  • Place of Presentation: The Hilton San Francisco Hotel（アメリカ）
• [Presentation] 表面増強赤外分光法を用いた金薄膜表面上のCaスルホネートの観察 (2013)
  • Author(s): 長瀬 直樹, 田巻 匡基, 内田 太郎, 大澤 雅俊
  • Organizer: トライボロジー会議2013 秋 福岡
  • Place of Presentation: アクロス福岡（福岡市）
• [Presentation] フェロセンの酸化還元に伴う水の構造変化と対イオンの影響：赤外分光解析 (2013)
  • Author(s): 内田 太郎, 池庄司 民夫, 大澤 雅俊
  • Organizer: 2013年電気化学秋季大会
  • Place of Presentation: 東京工業大学（東京都目黒区）
• [Presentation] フェロセンと水ならび対イオンとの相互作用：第一原理分子動力学計算 (2013)
  • Author(s): 池庄司 民夫, 内田 太郎, 大澤雅俊
  • Organizer: 2013年電気化学秋季大会
  • Place of Presentation: 東京工業大学（東京都目黒区）
• [Presentation] Pt電極に吸着したopd水素のPt-H振動数の電位依存性 (2013)
  • Author(s): 石野 嵩弥, 内田 太郎, 本林 健太, 陣内 亮典, 大澤 雅俊
  • Organizer: 2013年電気化学秋季大会
  • Place of Presentation: 東京工業大学（東京都目黒区）
• [Presentation] 金表面におけるCaスルフォネートの吸着－脱着挙動の表面増強赤外分光法による観察 (2013)
  • Author(s): 田巻 匡基, 長瀬 直樹, 内田 太郎, 大澤 雅俊
  • Organizer: 第73回分析化学討論会
  • Place of Presentation: 北海道大学（函館市）
• [Presentation] Pt電極表面におけるギ酸/ギ酸イオンの酸化反応機構(1):実験 (2013)
  • Author(s): Jiyong Joo、内田太郎、Cuesta Angel、Koper MarcT. M.、大澤雅俊
  • Organizer: 電気化学会創立第80周年記念大会
  • Place of Presentation: 東北大学（仙台市）
• [Presentation] Pt電極表面におけるギ酸/ギ酸イオンの酸化反応機構(2):シュミレーション (2013)
  • Author(s): Jiyong Joo、内田太郎、Cuesta Angel、Koper MarcT. M.、大澤雅俊
  • Organizer: 電気化学会創立第80周年記念大会
  • Place of Presentation: 東北大学（仙台市）
• [Presentation] ATR配置表面増強赤外分光における偏光依存性とその利用 (2012)
  • Author(s): 内田太郎、長谷川 健、大澤雅俊
  • Organizer: 第72回分析化学討論会
  • Place of Presentation: 鹿児島大学（鹿児島市）
• [Presentation] STRUCTURAL AND VIBRATIONAL SPECTROSCOPIC STUDY ON ISOTOPE EFFECTS IN (EDO-TTF)2XF6 (2012)
  • Author(s): Yoshiaki Nakano, Takuma Takeshita, Hideki Yomochi, Mikio Uruichi, Kyuya Yakushi, Taro Uchida, Masatoshi Osawa
  • Organizer: International Conference on Science and Technology of Synthetic Metals
  • Place of Presentation: The Hyatt Regency Atlanta（アメリカ）
• [Presentation] Probing the Electrochemical Interface by ATR-SEIRAS Using Polarized Radiation (2012)
  • Author(s): Taro Uchida, Takeshi Hasegawa, Masatoshi Osawa
  • Organizer: 63rd Annual Meeting of the International Society of Electrochemistry
  • Place of Presentation: Clarion Congress Hotel Prague （チェコ）
• [Presentation] Electrocatalytic Oxidation of Formate Ion on Pt: A Combined Electrochemical and SEIRAS Study (2012)
  • Author(s): Masatoshi Osawa, Jiyong Joo, Taro Uchida, Angel Cuesta, Marc Koper
  • Organizer: 63rd Annual Meeting of the International Society of Electrochemistry
  • Place of Presentation: Clarion Congress Hotel Prague （チェコ）
• [Presentation] Effect of pH on Electrooxidation of Formic Acid/Formate on Platinum (2012)
  • Author(s): J. Joo, T. Uchida, A. Cuesta, M. T. Koper, M. Osawa
  • Organizer: 222th Electrochemical Society Meeting
  • Place of Presentation: Hawaii Convention Center and the Hilton Hawaiian Village（アメリカ）
• [Presentation] Electro-Oxidation of CO on Pt in Alkaline Media Studied by In Situ Surface-Enhanced Infrared Absorption Spectroscopy (2012)
  • Author(s): J. Joo, T. Uchida, M. T. Koper, M. Osawa
  • Organizer: 222th Electrochemical Society Meeting
  • Place of Presentation: Hawaii Convention Center and the Hilton Hawaiian Village（アメリカ）
• [Presentation] 表面増強赤外分光法を用いた金属表面におけるシンコニジンの吸着構造の解明 (2012)
  • Author(s): 冨岡亮太、大澤雅俊、本林健太、内田太郎
  • Organizer: 第32回表面科学学術講演会
  • Place of Presentation: 東北大学（仙台市）