IDEAS home Printed from https://ideas.repec.org/a/eee/appene/v317y2022ics0306261922005591.html
   My bibliography  Save this article

Modeling the multi-step discharge and charge reaction mechanisms of non-aqueous Li-O2 batteries

Author

Listed:
  • Wang, Yuanhui
  • Hao, Liang
  • Bai, Minli

Abstract

The modeling study plays a critical role in understanding the reaction mechanisms and predicting the performance of lithium-oxygen (Li-O2) batteries. Although several models have successfully captured the discharge behaviors of the Li-O2 batteries, modeling the charge behaviors of the Li-O2 batteries is a challenge due to lacking a thorough understanding of the related reaction processes. This work proposes a multi-step reversible discharge/charge model for the non-aqueous Li-O2 batteries. Both the surface and solution reaction pathways of lithium peroxide (Li2O2) are taken into account. The proposed model can predict the discharge behaviors well, and more importantly, can accurately capture the charge behaviors of the Li-O2 batteries by considering the following three aspects: the effect of Li2O2 morphology on its decomposition potential, the evolution of interfacial resistance by Li2O2 film collapse, and the different desorption rates of absorbed lithium superoxide (LiO2∗) in different electrolytes. Based on this model, the discharge/charge processes of the Li-O2 batteries using dimethoxyethane(DME), tetraethylene glycol dimethyl ether (TEGDME) and dimethyl sulfoxide (DMSO) electrolytes, as well as a redox mediator TEMPO, are simulated and verified. The Li2O2 formation/decomposition through the surface and solution pathways are dominated by the specific surface area of the electrode and the potential, respectively. The Li2O2 generated by the solution pathway is more difficult to be decomposed during charge. The use of redox mediator TEMPO lowers the discharge capacity of the Li-O2 batteries due to the weakened solution reaction, while remarkably reduces the reversible capacity loss. The desorption time constant of LiO2∗ in electrolyte is a critical parameter that determines the degree of the reaction through the solution pathway, thus determining the discharge/charge cycling performance of the Li-O2 batteries with various electrolytes.

Suggested Citation

  • 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).
    • Handle: RePEc:eee:appene:v:317:y:2022:i:c:s0306261922005591
    DOI: 10.1016/j.apenergy.2022.119189
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0306261922005591
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.apenergy.2022.119189?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. Mohammad Asadi & Baharak Sayahpour & Pedram Abbasi & Anh T. Ngo & Klas Karis & Jacob R. Jokisaari & Cong Liu & Badri Narayanan & Marc Gerard & Poya Yasaei & Xuan Hu & Arijita Mukherjee & Kah Chun Lau , 2018. "A lithium–oxygen battery with a long cycle life in an air-like atmosphere," Nature, Nature, vol. 555(7697), pages 502-506, March.
    2. Jun Lu & Yun Jung Lee & Xiangyi Luo & Kah Chun Lau & Mohammad Asadi & Hsien-Hau Wang & Scott Brombosz & Jianguo Wen & Dengyun Zhai & Zonghai Chen & Dean J. Miller & Yo Sub Jeong & Jin-Bum Park & Zhiga, 2016. "A lithium–oxygen battery based on lithium superoxide," Nature, Nature, vol. 529(7586), pages 377-382, January.
    3. Doron Aurbach & Bryan D. McCloskey & Linda F. Nazar & Peter G. Bruce, 2016. "Advances in understanding mechanisms underpinning lithium–air batteries," Nature Energy, Nature, vol. 1(9), pages 1-11, September.
    4. Yuhui Chen & Xiangwen Gao & Lee R. Johnson & Peter G. Bruce, 2018. "Kinetics of lithium peroxide oxidation by redox mediators and consequences for the lithium–oxygen cell," Nature Communications, Nature, vol. 9(1), pages 1-6, December.
    5. Tan, P. & Jiang, H.R. & Zhu, X.B. & An, L. & Jung, C.Y. & Wu, M.C. & Shi, L. & Shyy, W. & Zhao, T.S., 2017. "Advances and challenges in lithium-air batteries," Applied Energy, Elsevier, vol. 204(C), pages 780-806.
    6. 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.
    Full references (including those not matched with items on IDEAS)

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. 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).
    2. Wei, Manhui & Wang, Keliang & Pei, Pucheng & Zuo, Yayu & Zhong, Liping & Shang, Nuo & Wang, Hengwei & Chen, Junfeng & Zhang, Pengfei & Chen, Zhuo, 2022. "An enhanced-performance Al-air battery optimizing the alkaline electrolyte with a strong Lewis acid ZnCl2," Applied Energy, Elsevier, vol. 324(C).

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. 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).
    2. 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.
    3. Heetaek Park & Minseok Kang & Donghun Lee & Jaehyun Park & Seok Ju Kang & Byoungwoo Kang, 2024. "Activating reversible carbonate reactions in Nasicon solid electrolyte-based Na-air battery via in-situ formed catholyte," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    4. Mohammed, Abubakar Gambo & Elfeky, Karem Elsayed & Wang, Qiuwang, 2022. "Recent advancement and enhanced battery performance using phase change materials based hybrid battery thermal management for electric vehicles," Renewable and Sustainable Energy Reviews, Elsevier, vol. 154(C).
    5. Dae-Seon Hong & Yeon-Ji Choi & Chang-Su Jin & Kyoung-Hee Shin & Woo-Jin Song & Sun-Hwa Yeon, 2023. "Enhanced Cycle Performance of NiCo 2 O 4 /CNTs Composites in Lithium-Air Batteries," Energies, MDPI, vol. 17(1), pages 1-14, December.
    6. Huang, Qisheng & Xu, Yunjian & Courcoubetis, Costas, 2020. "Stackelberg competition between merchant and regulated storage investment in wholesale electricity markets," Applied Energy, Elsevier, vol. 264(C).
    7. Hsieh, I-Yun Lisa & Pan, Menghsuan Sam & Chiang, Yet-Ming & Green, William H., 2019. "Learning only buys you so much: Practical limits on battery price reduction," Applied Energy, Elsevier, vol. 239(C), pages 218-224.
    8. 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).
    9. Guangli Zheng & Tong Yan & Yifeng Hong & Xiaona Zhang & Jianying Wu & Zhenxing Liang & Zhiming Cui & Li Du & Huiyu Song, 2023. "A non-Newtonian fluid quasi-solid electrolyte designed for long life and high safety Li-O2 batteries," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    10. Freitas Gomes, Icaro Silvestre & Perez, Yannick & Suomalainen, Emilia, 2020. "Coupling small batteries and PV generation: A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 126(C).
    11. Duffner, Fabian & Mauler, Lukas & Wentker, Marc & Leker, Jens & Winter, Martin, 2021. "Large-scale automotive battery cell manufacturing: Analyzing strategic and operational effects on manufacturing costs," International Journal of Production Economics, Elsevier, vol. 232(C).
    12. Huang, Zhiliang & Wang, Huaixing & Gan, Zhouwang & Yang, Tongguang & Yuan, Cong & Lei, Bing & Chen, Jie & Wu, Shengben, 2024. "An mechanical/thermal analytical model for prismatic lithium-ion cells with silicon‑carbon electrodes in charge/discharge cycles," Applied Energy, Elsevier, vol. 365(C).
    13. Tan, Peng & Xiao, Xu & Dai, Yawen & Cheng, Chun & Ni, Meng, 2020. "Photo-assisted non-aqueous lithium-oxygen batteries: Progress and prospects," Renewable and Sustainable Energy Reviews, Elsevier, vol. 127(C).
    14. Pitchai Ragupathy & Santoshkumar Dattatray Bhat & Nallathamby Kalaiselvi, 2023. "Electrochemical energy storage and conversion: An overview," Wiley Interdisciplinary Reviews: Energy and Environment, Wiley Blackwell, vol. 12(2), March.
    15. Wang, Yifei & Kwok, Holly Y.H. & Pan, Wending & Zhang, Huimin & Lu, Xu & Leung, Dennis Y.C., 2019. "Parametric study and optimization of a low-cost paper-based Al-air battery with corrosion inhibition ability," Applied Energy, Elsevier, vol. 251(C), pages 1-1.
    16. Kai Li & Jifeng Wang & Yuanyuan Song & Ying Wang, 2023. "Machine learning-guided discovery of ionic polymer electrolytes for lithium metal batteries," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    17. Say, Kelvin & Schill, Wolf-Peter & John, Michele, 2020. "Degrees of displacement: The impact of household PV battery prosumage on utility generation and storage," Applied Energy, Elsevier, vol. 276(C).
    18. Anatoly Antipov & Roman Pichugov & Lilia Abunaeva & Shengfu Tong & Mikhail Petrov & Alla Pustovalova & Ivan Speshilov & Natalia Kartashova & Pavel Loktionov & Alexander Modestov & Artem Glazkov, 2022. "Halogen Hybrid Flow Batteries Advances for Stationary Chemical Power Sources Technologies," Energies, MDPI, vol. 15(19), pages 1-20, October.
    19. Calise, Francesco & Cappiello, Francesco Liberato & Cartenì, Armando & Dentice d’Accadia, Massimo & Vicidomini, Maria, 2019. "A novel paradigm for a sustainable mobility based on electric vehicles, photovoltaic panels and electric energy storage systems: Case studies for Naples and Salerno (Italy)," Renewable and Sustainable Energy Reviews, Elsevier, vol. 111(C), pages 97-114.
    20. Hayat, K. & Vega, L.F. & AlHajaj, A., 2022. "What have we learned by multiscale models on improving the cathode storage capacity of Li-air batteries? Recent advances and remaining challenges," Renewable and Sustainable Energy Reviews, Elsevier, vol. 154(C).

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:appene:v:317:y:2022:i:c:s0306261922005591. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.elsevier.com/wps/find/journaldescription.cws_home/405891/description#description .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.