First-principles study of Humboldtine as negative battery electrode

ORAL

Abstract

We discuss the applicability of the naturally occurring Humboldtine mineral as an anode material. Using first-principles modeling, we evaluate the electrochemical activity of the material and demonstrate how its structural water content affects the intercalation reaction and contributes to its performance. Our analysis indicates that the fully dehydrated ferrous oxalate is a promising anodic material for Li-ion batteries. We also consider Na-ion batteries and we compare the two types of ions.

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Publication: (1) Keshavarz, F., Kadek, M., Barbiellini, B. and Bansil, A., 2022. Anodic activity of hydrated and anhydrous Iron (II) oxalate in Li-ion batteries. Condensed Matter, 7(1), p.8.
(2) Gromov, V., 2022. Study of humboldtine for sodium battery anode, Master's thesis LUT university.

Presenters

  • Bernardo Barbiellini

    • LUT University

Authors

  • Bernardo Barbiellini

    • LUT University

  • Fatemeh Keshavarz

    • LUT university

  • Vasilii Gromov

    • LUT university

  • Atlas Noubir

    • LUT university

  • Marius Kadek

    • Northeastern University

  • Arun Bansil

    • Northeastern University
    • Northeastern University, Boston, USA

  • Ekaterina Laakso

    • LUT university