CLS

Laboratory for Chemistry and Life Science, Institute of Integrated Research, Institute of Science Tokyo

東京科学大学
総合研究院
化学生命科学研究所

LAST UPDATE 2025/05/30

  • 研究者氏名
    Researcher Name

    ルオン・フー・ドック　Huu Duc LUONG
    特任助教　Specially Appointed Assistant Professor

  • 所属
    Affiliation

    東京科学大学 総合研究院 化学生命科学研究所
    Laboratory for Chemistry and Life Science, Institute of Integrated Research, Institute of Science Tokyo


    Computational Material Science

  • 研究キーワード
    Research Keywords

    電池
    電子イオン輸送
    表面劣化

    Battery
    Electronic-ionic transport
    Surface degradation
研究テーマ
Research Subject
電池における電子イオン拡散と劣化メカニズム
Electronic-ionic diffusion and degradation mechanism in battery

研究の背景 Background of the Research

The advancement of rechargeable batteries relies on a deep understanding of the fundamental properties of materials, such as electronic and ionic conductivity, and surface degradation—factors that are closely linked to rate capability and battery lifespan. By employing advanced simulation techniques, including density functional theory (DFT), molecular dynamics (MD), and neural network potentials (NNPs), we aim to provide meaningful insights for battery development and to accelerate the discovery of high-energy materials, particularly for Li-ion and Na-ion batteries.

研究の目標 Research Objective

We demonstrate the correlation between electronic and ionic conductivities at different state of charges, which are vital to evaluate the performance of electrode materials such as layer oxide cathodes (Fig. 1).
On the other hand, we prove that the migration of oxygen ions on surfaces accelerates the migration of transition metal ions, which causes the degradation of electrode surfaces (Fig. 2).

研究図Figures

論文発表 / Publications

H. D. Luong, C. Xu, R. Jalem, Y. Tateyama, Journal of Power Sources, 569, 2023, 232969.
H. D Luong, Z. Zhou, Y. Tateyama Journal of Power Sources, 641, 2025, 236854

研究者連絡先 / HP