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2022 Fiscal Year Annual Research Report

Unravelling the structural rules of antiperovskites and their derivatives

Research Project

Project/Area Number 22H01777
Allocation TypeSingle-year Grants
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
KeywordsPerovskite / Antiperovskite / Polyanion / High pressure / New materials
Outline of Annual Research Achievements

In the past fiscal year, we have discovered several new antiperovskites by means of high pressure and high temperature synthesis. The role of composition on the structure of the antiperovskites has been evaluated for different compositions. We have published the structure and properties of Na3H(ZnH4), which presents a highly distorted structure.

From this new structure, different anions and polyanions have been incorporated in the antiperovskite framework. The new crystal structures have been determined using synchrotron and neutron powder diffraction. The origin of the distortions of our materials as well as the mechanism for ionic migration have been studied by Prof. Kuwabara. The ionic conductivity of our materials has been investigated in collaboration with Prof. Miyahara.

Current Status of Research Progress
Current Status of Research Progress

1: Research has progressed more than it was originally planned.

Reason

We have discovered numerous new antiperovskites within one year and realized a new solid solution. We have discovered that it is possible to tune the anionic content of several materials and in turn modify the symmetry by changing the composition.

New crystal structures with new anionic ordering have been discovered from the preparation of these compositions. The anionic ordering leads to different symmetries with the ones previously observed which could open the door to new functionalities.

Strategy for Future Research Activity

In the future work, we aim at investigating new anions for the antiperovskites and investigate the preparation of new structures. The correlation between the composition-structure-properties of our new phases and their ionic content are going to be studied.

The properties of the structures which have been prepared during FY2022 are being investigated. Prof. Miyahara is investigating the ionic conductivity of different new material. Prof. Kuwabara is using theoretical calculations to determine the impact of composition on the structure and different symmetries of the new materials.

  • Research Products

    (11 results)

All 2022

All Journal Article (1 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 1 results) Presentation (10 results) (of which Int'l Joint Research: 9 results,  Invited: 2 results)

  • [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 Pages: 6815~6823

    • DOI

      10.1021/acs.chemmater.2c00958

    • Peer Reviewed / Int'l Joint Research
  • [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
    • 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
    • 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
    • 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
    • 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
    • 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
    • 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
    • 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
    • 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
    • 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
    • Int'l Joint Research / Invited

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Published: 2023-12-25  

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