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Wadsley–Roth phase TiNb2O7 with an octahedral network consisting of TiO6 and NbO6 has
attracted significant attention as a negative electrode material of lithium ion batteries in recent
years owing to its high safety and high discharge capacity. In this article, we investigated the
effect of the network structure (intermediate-range structure), which is considered to form Li+
conduction pathways, on the electrode properties of TiNb2O7. To this end, we prepared TiNb2O7
samples with different charge/discharge properties, and generated the atomic configurations that
simultaneously reproduce both total scattering and Bragg profile data. Topological analyses based
on persistent homology demonstrated that the network disorder hidden in the average structure
(crystal structure) degrades significantly the negative electrode properties. In conclusion,
controlling the network topology is considered as the key to improving the negative electrode
properties of TiNb2O7.

権利情報:

• Creative Commons BY Attribution 4.0 International
  

キーワード: lithium-ion batteries, persistent homology

刊行年月日: 2024-12-10

出版者: Springer Science and Business Media LLC

掲載誌:

• NPG Asia Materials (ISSN: 18844049) vol. 16 62

研究助成金:

• MEXT | Japan Society for the Promotion of Science 20H05880
• MEXT | Japan Society for the Promotion of Science 20H05881
• MEXT | Japan Society for the Promotion of Science 20H05884
• MEXT | Japan Society for the Promotion of Science 19KK0068
• MEXT | Japan Society for the Promotion of Science 20H05881
• MEXT | Japan Society for the Promotion of Science 20H05884
• MEXT | Japan Society for the Promotion of Science 20H05884
• MEXT | Japan Society for the Promotion of Science 20H05881

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.1038/s41427-024-00581-5

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更新時刻: 2024-12-18 16:30:39 +0900

MDRでの公開時刻: 2024-12-18 16:30:39 +0900