2022 Fiscal Year Final Research Report
Dominant factor analysis of ionic conduction in solids based on the spectral graph theory
| Project/Area Number |
20H02422
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Review Section |
Basic Section 26010:Metallic material properties-related
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| Research Institution | Kyoto University |
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Principal Investigator |
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| Project Period (FY) |
2020-04-01 – 2023-03-31
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| Keywords | スペクトラルグラフ理論 / イオン伝導 / ポテンシャルエネルギー曲面 |
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| Outline of Final Research Achievements |
Ionic conductors are indispensable for any electrochemical device, such as various batteries and gas sensors, and their ionic conductivities play a key role in determining the device performance. Therefore, many researchers explore new materials exhibiting high ionic conductivity. However, the materials development is still dominated by the experience and intuition of individual researchers, and a large part of the huge search space remains unexplored. In the present study, we developed a new methodology to understand ionic conduction in crystals by analyzing ion-conducting networks using the spectral graph theory, which analyzes complex networks such as the networks of internet and transportation.
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| Free Research Field |
計算材料科学
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| Academic Significance and Societal Importance of the Research Achievements |
本研究では，インターネットや交通網などの複雑なネットワークを解析するスペクトラルグラフ理論を用いて結晶内部に形成されるイオン伝導経路網を解析することで，固体内のイオン伝導を理解する新しい方法論の構築を目指すものである．これは，固体イオニクス分野と情報科学分野の融合領域という観点で学術的意義は極めて高い．また，固体内のイオン伝導を包括的に理解する新しい方法論は新材料探索・設計指針に繋がることから，燃料電池や各種二次電池などエネルギー貯蔵技術の開発を加速するものである．このように，持続可能なエネルギー社会実現にも貢献するという点で社会的意義も有している．
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