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Modeling of an aprotic Li-O2 battery incorporating multiple-step reactions

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  • Ren, Y.X.
  • Zhao, T.S.
  • Tan, P.
  • Wei, Z.H.
  • Zhou, X.L.

Abstract

This paper reports on a one-dimensional lithium-oxygen (Li-O2) battery model incorporating the competitive uptake of discharge intermediate between the electrode surface and the aprotic electrolyte. Unlike previous models, in which a single-step reaction is assumed for aprotic Li-O2 batteries (2Li++2e−+O2→Li2O2), the present model more realistically depicts the electrochemical process in a battery system by taking account of multiple-step reactions, including the surface reduction reactions of adsorbed oxygen (Li++O2∗+e-→LiO2∗) and adsorbed superoxide (LiO2∗+Li++e-→Li2O2) along with the dissolution of superoxide into electrolyte. Transient and spatial analyses are performed to identify the limiting steps for the battery’s performance, including oxygen transport and final discharge product precipitation. The effects of the kinetics of oxygen reduction reaction and superoxide dissolution are also investigated. In addition, the impact of cathode microstructures on the battery’s performance is studied. It is found that the electrolyte’s ability to dissolve the discharge intermediate (LiO2) is critically important to improve the discharge capacity.

Suggested Citation

  • Ren, Y.X. & Zhao, T.S. & Tan, P. & Wei, Z.H. & Zhou, X.L., 2017. "Modeling of an aprotic Li-O2 battery incorporating multiple-step reactions," Applied Energy, Elsevier, vol. 187(C), pages 706-716.
    • Handle: RePEc:eee:appene:v:187:y:2017:i:c:p:706-716
    DOI: 10.1016/j.apenergy.2016.11.108
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    References listed on IDEAS

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    1. Li, Xianglin & Huang, Jing & Faghri, Amir, 2015. "Modeling study of a Li–O2 battery with an active cathode," Energy, Elsevier, vol. 81(C), pages 489-500.
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    Cited by:

    1. Wang, Yuanhui & Hao, Liang & Bai, Minli, 2022. "Modeling the multi-step discharge and charge reaction mechanisms of non-aqueous Li-O2 batteries," Applied Energy, Elsevier, vol. 317(C).
    2. Zhuojun Zhang & Xu Xiao & Aijing Yan & Kai Sun & Jianwen Yu & Peng Tan, 2024. "Breaking the capacity bottleneck of lithium-oxygen batteries through reconceptualizing transport and nucleation kinetics," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    3. Wang, Yuanhui & Hao, Liang & Bai, Minli, 2023. "Modeling the influence of water on the performance of non-aqueous Li-O2 batteries," Applied Energy, Elsevier, vol. 330(PB).
    4. Esfahanian, Vahid & Dalakeh, Muhammad Taghi & Aghamirzaie, Navid, 2019. "Mathematical modeling of oxygen crossover in a lithium-oxygen battery," Applied Energy, Elsevier, vol. 250(C), pages 1356-1365.
    5. Xiao, Xu & Zhang, Zhuojun & Yu, Wentao & Shang, Wenxu & Ma, Yanyi & Tan, Peng, 2022. "Achieving a high-specific-energy lithium-carbon dioxide battery by implementing a bi-side-diffusion structure," Applied Energy, Elsevier, vol. 328(C).

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    Keywords

    Li-O2 battery; Numerical model; Multiple-step reactions;
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