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Electronic structure characterization of non-aqueous solvents

Research Project

Project/Area Number 18K14178
Research Category

Grant-in-Aid for Early-Career Scientists

Allocation TypeMulti-year Fund
Review Section Basic Section 32010:Fundamental physical chemistry-related
Research InstitutionKyoto University

Principal Investigator

Thuermer Stephan  京都大学, 理学研究科, 准教授 (40722161)

Project Period (FY) 2018-04-01 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2019: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Fiscal Year 2018: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Keywordselectron spectroscopy / electronic structure / ionization energy / non-aqueous solvents / valence band
Outline of Final Research Achievements

Photoelectron spectroscopy was used to study the electronic structure of liquids, with focus on non-aqueous solvents. Photoelectron spectroscopy is able to directly reveal electrochemical properties, the chemical state and reaction products on a molecular scale, which is also crucial for understanding biological processes. However, the key is having robust reference data and the ability to measure accurate ionization energies.
A new energy-referencing method for obtaining accurate ionization energies was developed and applied to liquid water and alcohols. Here, the full valence band of ethanol and methanol was characterized for the first time. Furthermore, measurements of liquid ammonia have been made possible in international collaboration, which enabled first direct study of an insulator-to-metal transition in an alkali metal-ammonia solution. The gained knowledge was applied to study metallic water-solutions by forming a liquid water layer on a sodium-potassium droplet.

Academic Significance and Societal Importance of the Research Achievements

Important steps for photoelectron spectroscopy on liquids were achieved: Development of a new energy-referencing method for obtaining more accurate chemical properties, and establishing much-needed reference data for non-aqueous solvents, starting with the characterization of methanol and ethanol.

Report

(4 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Research-status Report
  • 2018 Research-status Report
  • Research Products

    (13 results)

All 2021 2020 2019 2018 Other

All Int'l Joint Research (4 results) Journal Article (3 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 3 results,  Open Access: 1 results) Presentation (3 results) (of which Int'l Joint Research: 1 results) Remarks (3 results)

  • [Int'l Joint Research] Fritz Haber Institute/Helmholtz Zentrum Berlin/DESY Hamburg(ドイツ)

    • Related Report
      2020 Annual Research Report
  • [Int'l Joint Research] Czech Academy of Sciences(チェコ)

    • Related Report
      2020 Annual Research Report
  • [Int'l Joint Research] Fritz Haber Institute/Helmholtz Zentrum Berlin/Humboldt-Universitaet zu Berlin(ドイツ)

    • Related Report
      2019 Research-status Report
  • [Int'l Joint Research] Czech Academy of Sciences(チェコ)

    • Related Report
      2019 Research-status Report
  • [Journal Article] Valence Photoelectron Spectra of Liquid Methanol and Ethanol Measured Using He II Radiation2021

    • Author(s)
      Thuermer Stephan、Shinno Takatoshi、Suzuki Toshinori
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 125 Issue: 12 Pages: 2492-2503

    • DOI

      10.1021/acs.jpca.1c00288

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Low-energy constraints on photoelectron spectra measured from liquid water and aqueous solutions2021

    • Author(s)
      Malerz Sebastian、Trinter Florian、Hergenhahn Uwe、Ghrist Aaron、Ali Hebatallah、Nicolas Christophe、Saak Clara-Magdalena、Richter Clemens、Hartweg Sebastian、Nahon Laurent、Lee Chin、Goy Claudia、Neumark Daniel M.、Meijer Gerard、Wilkinson Iain、Winter Bernd、Thuermer Stephan
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 23 Issue: 14 Pages: 8246-8260

    • DOI

      10.1039/d1cp00430a

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Photoelectron spectra of alkali metal-ammonia microjets: From blue electrolyte to bronze metal2020

    • Author(s)
      Tillmann Buttersack, Philip E. Mason, Ryan S. McMullen, H. Christian Schewe, Tomas Martinek, Krystof Brezina, Martin Crhan, Axel Gomez, Dennis Hein, Garlef Wartner, Robert Seidel, Hebatallah Ali, Stephan Thuermer, Ondrej Marsalek, Bernd Winter, Stephen E. Bradforth, Pavel Jungwirth
    • Journal Title

      Science

      Volume: 368 Issue: 6495 Pages: 1086-1091

    • DOI

      10.1126/science.aaz7607

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] 液体の水、メタノール、エタノールのHe(II)光電子分光2019

    • Author(s)
      秦隆敏, Stephan Thuermer, 鈴木俊法
    • Organizer
      分子科学討論会2019
    • Related Report
      2019 Research-status Report
  • [Presentation] Exploring non-radiative relaxation processes in X-ray irradiated liquid water and aqueous solutions2018

    • Author(s)
      Stephan Thuermer
    • Organizer
      International Workshop on Trends in Advanced Spectroscopy in Materials Science (TASPEC)
    • Related Report
      2018 Research-status Report
  • [Presentation] Post-collision interaction in liquid water and aqueous solution - A sensitive probe of dynamic screening effects within the Auger-time window?2018

    • Author(s)
      Stephan Thuermer
    • Organizer
      The Fourteenth International Conference on Electronic Spectroscopy and Structure (ICESS-14)
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Remarks] Google Scholar User Profile

    • URL

      https://scholar.google.com/citations?user=05yx0h0AAAAJ

    • Related Report
      2020 Annual Research Report 2019 Research-status Report
  • [Remarks] University Group Homepage

    • URL

      http://kuchem.kyoto-u.ac.jp/bukka/

    • Related Report
      2020 Annual Research Report 2019 Research-status Report
  • [Remarks] Personal Google Scholar Page

    • URL

      https://scholar.google.co.jp/citations?user=05yx0h0AAAAJ

    • Related Report
      2018 Research-status Report

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Published: 2018-04-23   Modified: 2022-01-27  

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