| ID | 70466 |
| FullText URL | |
| Author |
Kitamura, Naoto
Department of Pure and Applied Chemistry, Faculty of Science and Technology, Tokyo University of Science
Tang, Yizhong
Department of Pure and Applied Chemistry, Faculty of Science and Technology, Tokyo University of Science
Kimura, Koji
Department of Physical Science and Engineering, Nagoya Institute of Technology
Obayashi, Ippei
Center for Artificial Intelligence and Mathematical Data Science, Okayama University
Onodera, Yohei
Center for Basic Research on Materials, National Institute for Materials Science
Nakashima, Ken
Faculty of Materials for Energy, Shimane University
Ishibashi, Chiaki
Department of Pure and Applied Chemistry, Faculty of Science and Technology, Tokyo University of Science
Idemoto, Yasushi
Department of Pure and Applied Chemistry, Faculty of Science and Technology, Tokyo University of Science
Hayashi, Koichi
Department of Physical Science and Engineering, Nagoya Institute of Technology
|
| Abstract | LixLa(1−x)/3NbO3 with an A-site-deficient perovskite structure was investigated with a focus on the relationship between its atomic configuration and Li+ diffusion properties. To this end, total scattering (diffraction) measurements were performed, and then reverse Monte Carlo modeling using the data was employed to construct the atomic configuration. The results suggest that the partial occupancy of La in the La-poor layer facilitate Li+ diffusion across the layer owing to the volume contraction. Furthermore, topological analyses conducted via persistent homology using the constructed atomic configuration indicate that a large fourfold ring formed by Nb and O is one of the reasons for superior Li+ diffusion in LixLa(1−x)/3NbO3.
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| Keywords | A-site-deficient perovskite
Li+ conduction
Total scattering
Local structure
Persistent homology
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| Published Date | 2026-04-01
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| Publication Title |
Journal of the Ceramic Society of Japan
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| Volume | volume134
|
| Issue | issue4
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| Publisher | Ceramic Society of Japan
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| Start Page | 225
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| End Page | 231
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| ISSN | 1348-6535
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| Content Type |
Journal Article
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| language |
English
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| OAI-PMH Set |
岡山大学
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| Copyright Holders | ©2025 The Ceramic Society of Japan
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| File Version | publisher
|
| DOI | |
| Web of Science KeyUT | |
| Related Url | isVersionOf https://doi.org/10.2109/jcersj2.25074
|
| License | https://creativecommons.org/licenses/by/4.0/
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| 助成情報 |
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