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Unravelling the structural rules of antiperovskites and their derivatives

Research Project

Project/Area Number 23K23045
Project/Area Number (Other) 22H01777 (2022-2023)
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeMulti-year Fund (2024)
Single-year Grants (2022-2023)
Section一般
Review Section Basic Section 26020:Inorganic materials and properties-related
Research InstitutionKyoto University

Principal Investigator

タッセル セドリック  京都大学, 工学研究科, 准教授 (60597798)

Co-Investigator(Kenkyū-buntansha) 桑原 彰秀  一般財団法人ファインセラミックスセンター, その他部局等, 主席研究員 (30378799)
宮原 雄人  京都大学, 工学研究科, 助教 (60807816)
Project Period (FY) 2022-04-01 – 2027-03-31
Project Status Granted (Fiscal Year 2024)
Budget Amount *help
¥17,550,000 (Direct Cost: ¥13,500,000、Indirect Cost: ¥4,050,000)
Fiscal Year 2026: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2025: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2024: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2023: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2022: ¥8,710,000 (Direct Cost: ¥6,700,000、Indirect Cost: ¥2,010,000)
KeywordsPerovskite / Antiperovskite / Polyanion / High pressure / Antiperovskites / Ionic conductor / Perovskites / High-pressure / 逆ペロブスカイト / 高圧合成 / New materials / Ionic conductivity
Outline of Research at the Start

The goal of this project is to better understand which anions or polyanions can be incorporated within an antiperovskite framework. The synthesis of these new mixed anion structures will allow a better understanding of crystal structures and how to make better ionic conductors.

Outline of Annual Research Achievements

In this fiscal year, new antiperovskites materials have been prepared using both high pressure techniques and conventional ambient pressure methods. The crystal structure of the materials have been investigated using powder diffraction and Rietveld refinement. The properties of the new compositions have been evaluated for ionic conductivity and other functions. Theoretical calculations have allowed to better understand the correlations between the composition and the structure of the antiperovskites notably in the M3HCh and M3FCh (M = Li, Na, K; Ch = S, Se, Te) system. The role of the size flexibility of chalcogenide ions, charge density of alkali metal ions and the stabilization of the cubic symmetry of different compounds has been shown.

Current Status of Research Progress
Current Status of Research Progress

2: Research has progressed on the whole more than it was originally planned.

Reason

The research conducted in the previous year has allowed generating several novel antiperovskites with different crystal structures as a function of their compositions. The crystal structures of the new compositions can be compared to conventional cubic-type and hexagonal-type perovskites as a function of their anionic content. Investigation of the correlation between the composition and the structure is underway along with the study of their ionic conducting properties and others as a function of temperature using different methods. Theoretical calculations have been performed to better understand the relations between the composition, structure and properties of several materials.

Strategy for Future Research Activity

New materials syntheses are now under investigation. Using the data gathered during the previous fiscal years we have been able to better comprehend the range of compositions that can be realized using anions. In the next fiscal years, we will generate new structures and optimize their compositions to yield interesting ionic conducting properties. The synthesis and the structures will be investigated using diffraction (Tassel, Kyoto University). The ionic transport properties of the new compositions will be investigated using electrochemical impedance spectroscopy (Miyahara, Kyoto University). The theory to understand the mechanism of conductivity will be studied (Kuwabara, JFCC).

Report

(2 results)
  • 2023 Annual Research Report
  • 2022 Annual Research Report
  • Research Products

    (16 results)

All 2024 2023 2022

All Journal Article (2 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 2 results,  Open Access: 1 results) Presentation (14 results) (of which Int'l Joint Research: 9 results,  Invited: 4 results)

  • [Journal Article] Potassium-rich antiperovskites K3HTe and K3FTe and their structural relation to lithium and sodium counterparts2023

    • Author(s)
      Okada Koji、Fujii Susumu、Tassel Cedric、Gao Shenghan、Ubukata Hiroki、Pan Wenli、Yamamoto Kentaro、Uchimoto Yoshiharu、Kuwabara Akihide、Kageyama Hiroshi
    • Journal Title

      Dalton Transactions

      Volume: 52 Issue: 26 Pages: 9026-9031

    • DOI

      10.1039/d3dt01039b

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Na<sub>3</sub>H(ZnH<sub>4</sub>) Antiperovskite: A Large Octahedral Distortion with an Off-Centering Hydride Anion Coupled to Molecular Hydride2022

    • Author(s)
      Gao Shenghan、Tassel Cedric、Fujii Susumu、Ubukata Hiroki、Zhu Tong、Zhang Datong、Broux Thibault、Saito Takashi、Zhong Chengchao、Yoruk Emre、Yamamoto Kentaro、Kuwabara Akihide、Uchimoto Yoshiharu、Kageyama Hiroshi
    • Journal Title

      Chemistry of Materials

      Volume: 34 Issue: 15 Pages: 6815-6823

    • DOI

      10.1021/acs.chemmater.2c00958

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] New functional materials prepared by high pressure and high temperature synthesis2024

    • Author(s)
      Cedric Tassel
    • Organizer
      The Kyoto University - University of Bordeaux Strategic Partnership Symposium 2024
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] Synthesis and characterizations of mixed anion hydrides towards functional energy materials2023

    • Author(s)
      Cedric Tassel
    • Organizer
      公益社団法人日本セラミックス協会第36回秋季シンポジウム
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] High-pressure synthesis and properties of perovskites containing molecules2023

    • Author(s)
      Cedric Tassel
    • Organizer
      第17回物性科学領域横断研究会 (領域合同研究会)
    • Related Report
      2023 Annual Research Report
  • [Presentation] 分子アニオンを含む逆ペロブスカイト2023

    • Author(s)
      河合雄司, Gao Shenghan, Cedric Tassel, 陰山洋
    • Organizer
      第17回物性科学領域横断研究会 (領域合同研究会)
    • Related Report
      2023 Annual Research Report
  • [Presentation] High pressure synthesis of mixed anion perovskites and antiperovskites (Online))2022

    • Author(s)
      Cedric Tassel
    • Organizer
      The 1st Workshop on Supra-Ceramics, Hybrid, Shinagawa University, Shinagawa
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] High pressure synthesis of mixed anionic hydrides: from perovskites to antiperovskites2022

    • Author(s)
      Cedric Tassel
    • Organizer
      The 5th International Union of Materials Research Societies International Conference of Young Researchers on Advanced Materials, IUMRS-ICYRAM, Fukuoka, Japan
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Nouveaux materiaux fonctionnels a anions mixtes prepares par voies ceramiques non conventionelles2022

    • Author(s)
      Cedric Tassel
    • Organizer
      Seminar at University of Rennes, Rennes, France
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] High pressure synthesis of mixed anion perovskites and antiperovskites2022

    • Author(s)
      Cedric Tassel
    • Organizer
      International Collaborative Meeting on Mixed-anion Compounds, Oxford, England
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Developpement de nouveaux materiaux fonctionnels a anions mixtes2022

    • Author(s)
      Cedric Tassel
    • Organizer
      Seminar at University of Nantes, Nantes, France
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Chemistry, structure and properties of mixed anion perovskites and antiperovskites2022

    • Author(s)
      Cedric Tassel
    • Organizer
      Seminar at University of Lille, Lille, France
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Syntheses de nouveaux materiaux a anions mixtes fonctionnels2022

    • Author(s)
      Cedric Tassel
    • Organizer
      Seminar at University of Bordeaux, Bordeaux, France
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Chemistry, structure and properties of mixed anion perovskites and antiperovskites2022

    • Author(s)
      Cedric Tassel
    • Organizer
      Seminar at University of Antwerp, Antwerp, Belgium
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Synthesis and properties of new mixed anion materials2022

    • Author(s)
      Cedric Tassel
    • Organizer
      Seminar at RWTH Aachen University, Aachen Germany
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] La chimie des composes a anions mixtes: vers de nouveaux materiaux fonctionnels pour l'energie2022

    • Author(s)
      Cedric Tassel
    • Organizer
      Seminar at the College de France, Paris, France
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited

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Published: 2022-04-19   Modified: 2024-12-25  

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