2023 Fiscal Year Annual Research Report
Unravelling the structural rules of antiperovskites and their derivatives
| Project/Area Number |
22H01777
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| Allocation Type | Single-year Grants |
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| Research Institution | Kyoto University |
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Principal Investigator |
タッセル セドリック 京都大学, 工学研究科, 准教授 (60597798)
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| 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)
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| Project Period (FY) |
2022-04-01 – 2027-03-31
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| Keywords | Antiperovskites / Ionic conductor / Perovskites / High-pressure |
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| 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.
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| 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.
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| 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).
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