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Liquid Madelung energy accounts for the huge potential shift in electrochemical systems

Author

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  • Norio Takenaka

    (The University of Tokyo)

  • Seongjae Ko

    (The University of Tokyo)

  • Atsushi Kitada

    (The University of Tokyo)

  • Atsuo Yamada

    (The University of Tokyo
    Sungkyunkwan University Institute of Energy Science & Technology (SIEST), Sungkyunkwan University)

Abstract

Achievement of carbon neutrality requires the development of electrochemical technologies suitable for practical energy storage and conversion. In any electrochemical system, electrode potential is the central variable that regulates the driving force of redox reactions. However, quantitative understanding of the electrolyte dependence has been limited to the classic Debye-Hückel theory that approximates the Coulombic interactions in the electrolyte under the dilute limit conditions. Therefore, accurate expression of electrode potential for practical electrochemical systems has been a holy grail of electrochemistry research for over a century. Here we show that the ‘liquid Madelung potential’ based on the conventional explicit treatment of solid-state Coulombic interactions enables quantitatively accurate expression of the electrode potential, with the Madelung shift obtained from molecular dynamics reproducing a hitherto-unexplained huge experimental shift for the lithium metal electrode. Thus, a long-awaited method for the description of the electrode potential in any electrochemical system is now available.

Suggested Citation

  • Norio Takenaka & Seongjae Ko & Atsushi Kitada & Atsuo Yamada, 2024. "Liquid Madelung energy accounts for the huge potential shift in electrochemical systems," Nature Communications, Nature, vol. 15(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-023-44582-4
    DOI: 10.1038/s41467-023-44582-4
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    References listed on IDEAS

    as
    1. Yuki Yamada & Kenji Usui & Keitaro Sodeyama & Seongjae Ko & Yoshitaka Tateyama & Atsuo Yamada, 2016. "Hydrate-melt electrolytes for high-energy-density aqueous batteries," Nature Energy, Nature, vol. 1(10), pages 1-9, October.
    2. Seongjae Ko & Xiao Han & Tatau Shimada & Norio Takenaka & Yuki Yamada & Atsuo Yamada, 2023. "Electrolyte design for lithium-ion batteries with a cobalt-free cathode and silicon oxide anode," Nature Sustainability, Nature, vol. 6(12), pages 1705-1714, December.
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