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Stable and reactive heterogeneous catalyst for ammonia synthesis at ambient condition

Research Project

Project/Area Number 17K19008
Research Category

Grant-in-Aid for Challenging Research (Exploratory)

Allocation TypeMulti-year Fund
Research Field Chemical engineering and related fields
Research InstitutionKyoto University

Principal Investigator

Ogawa Takaya  京都大学, エネルギー科学研究科, 特定助教 (90748550)

Project Period (FY) 2017-06-30 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥5,980,000 (Direct Cost: ¥4,600,000、Indirect Cost: ¥1,380,000)
Fiscal Year 2018: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2017: ¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Keywordsアンモニア合成 / 量子化学計算 / 錯体触媒の固定化 / 低温・常圧アンモニア合成
Outline of Final Research Achievements

Using DFT calculation, I simulated the catalyst that three Aryl of [ArylN3N]Mo combined to electropositive solids, which is expected to enhance the stability and activity. When carbon chain of Aryl is short, the stability becomes high. However, electron from the solids destabilize the catalyst. MD calculation clarified that PCET can react with dinitrogen through Aryl.

Academic Significance and Societal Importance of the Research Achievements

アンモニアは人工肥料合成に必要不可欠であり、この合成プロセスは人類の総消費エネルギーの1.4 %にも達する莫大なエネルギー消費プロセスである。アンモニア合成ができる、常温常圧で安定でかつ高活性な不均一触媒の開発は、ハーバー・ボッシュ法の100年の歴史を塗り替える新手法として、プロセスを大幅に簡略可能で、かつエネルギー消費が抑制でき、密度の薄い再生可能エネルギーでもアンモニア合成できる可能性がある。そしてアンモニアはポータブル燃料として有望であるため、アンモニアを基軸とした再生可能エネルギーによるエネルギーシステムを構築できる可能性を拓ける。

Report

(3 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • Research Products

    (9 results)

All 2018 2017

All Journal Article (5 results) (of which Int'l Joint Research: 3 results,  Peer Reviewed: 5 results,  Open Access: 3 results) Presentation (4 results) (of which Int'l Joint Research: 4 results)

  • [Journal Article] Comprehensive Analysis of Trends and Emerging Technologies in All Types of Fuel Cells Based on a Computational Method2018

    • Author(s)
      Ogawa Takaya, Takeuchi Mizutomo, Kajikawa Yuya
    • Journal Title

      SUSTAINABILITY

      Volume: 10 Issue: 2 Pages: 458-458

    • DOI

      10.3390/su10020458

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Analysis of Trends and Emerging Technologies in Water Electrolysis Research Based on a Computational Method: A Comparison with Fuel Cell Research2018

    • Author(s)
      Ogawa Takaya, Takeuchi Mizutomo, Kajikawa Yuya
    • Journal Title

      SUSTAINABILITY

      Volume: 10 Issue: 2 Pages: 478-478

    • DOI

      10.3390/su10020478

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Landscape of Research Areas for Zeolites and Metal-Organic Frameworks Using Computational Classification Based on Citation Networks2017

    • Author(s)
      Takaya Ogawa, Kenta Iyoki, Tomohiro Fukushima, Yuya Kajikawa
    • Journal Title

      Materials

      Volume: 10 Issue: 12 Pages: 1428-1428

    • DOI

      10.3390/ma10121428

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Reduction of Dinitrogen to Ammonia Catalyzed by Molybdenum Diamido Complexes2017

    • Author(s)
      Wickramasinghe Lasantha A., Ogawa Takaya, Schrock Richard R., Mueller Peter
    • Journal Title

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

      Volume: 139 Issue: 27 Pages: 9132-9135

    • DOI

      10.1021/jacs.7b04800

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Generating novel research ideas using computational intelligence: A case study involving fuel cells and ammonia synthesis2017

    • Author(s)
      Ogawa, T., Kajikawa, Y
    • Journal Title

      Technological Forecasting and Social Change

      Volume: 印刷中 Pages: 41-47

    • DOI

      10.1016/j.techfore.2017.04.004

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Presentation] Producing ZnO-based Transparent Electrodes for Flexible Substrates2018

    • Author(s)
      Fahmi Machda, Takaya Ogawa, Hideyuki Okumura, Keiichi Ishihara
    • Organizer
      Eco-Energy and Material Science -Engineering Symposium (EMSES2018)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Trends and Emerging Materials in Fuel cell and Water Electrolysis Researches Analyzed by Computational Method2018

    • Author(s)
      Takaya Ogawa, Mizutomo Takeuchi, and Yuya Kajikawa
    • Organizer
      STEMa 2018, International Conference on Science and Technology of Emerging Materials 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] The Effect of Substrate Roughness on the Properties of Sputtered AZO Thin Film2018

    • Author(s)
      Kairi Hamada, Hideyuki Okumura, Takaya Ogawa, Keiichi N. Ishihara
    • Organizer
      the 2018 MRS Fall Meeting
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] The rational design for a proton conducting membrane with low dependency on humidity2017

    • Author(s)
      Takaya Ogawa, Gopinathan M. Anilkumar, Takanori Tamaki, Hidenori Ohashi, Takeo Yamaguchi
    • Organizer
      The 11th International Congress on Membranes and Membrane Processes (ICOM 2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research

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Published: 2017-07-21   Modified: 2021-01-27  

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