Interfacial study on solid electrolyte interphase at Li metal anode: Implication for Li dendrite growth

Z. Liu, Y. Qi, Y. X. Lin, L. Chen, P. Lu, L. Q. Chen

    Research output: Contribution to journalArticle

    • 11 Citations

    Abstract

    The Solid electrolyte interphase (SEI), either naturally formed or artificially designed, plays a critical role in the stability and durability of Li-ion batteries (LIBs). It is even more important for high energy density electrodes such as Li metal anodes, which is subjected to large volumetric and interfacial variations due to Li deposition/stripping cycles during operation. Currently, there is a lack of understanding of the role of SEI/Li interfaces and their mechanical and electrochemical properties. In this paper, we present an interfacial study to evaluate the two major SEI components, LiF and Li2CO3, based on density functional theory (DFT) calculations. The calculated interfacial energy results show that the Li2CO3/Li interface has higher interfacial mechanical strength. The density of states (DOS) and electrostatic potential results demonstrate that the LiF/Li interface has higher electron tunneling energy barrier from Li metal to SEI. These results provide quantitative inputs for related meso-scale simulations and valuable insights for advanced electrode protective coating design.

    Original languageEnglish (US)
    Pages (from-to)A592-A598
    JournalJournal of the Electrochemical Society
    Volume163
    Issue number3
    DOIs
    StatePublished - 2016

    Profile

    solid electrolytes
    Prepaid Group Practice
    Solid electrolytes
    metals
    Metals
    anodes
    electrodes
    Autoradiography
    Autopsy
    Anodes
    Electrodes
    interfacial energy
    protective coatings
    dendrites
    electron tunneling
    stripping
    durability
    electric batteries
    flux density
    electrostatics

    ASJC Scopus subject areas

    • Electrochemistry
    • Electronic, Optical and Magnetic Materials
    • Materials Chemistry
    • Surfaces, Coatings and Films
    • Renewable Energy, Sustainability and the Environment
    • Condensed Matter Physics

    Cite this

    Interfacial study on solid electrolyte interphase at Li metal anode : Implication for Li dendrite growth. / Liu, Z.; Qi, Y.; Lin, Y. X.; Chen, L.; Lu, P.; Chen, L. Q.

    In: Journal of the Electrochemical Society, Vol. 163, No. 3, 2016, p. A592-A598.

    Research output: Contribution to journalArticle

    Liu, Z.; Qi, Y.; Lin, Y. X.; Chen, L.; Lu, P.; Chen, L. Q. / Interfacial study on solid electrolyte interphase at Li metal anode : Implication for Li dendrite growth.

    In: Journal of the Electrochemical Society, Vol. 163, No. 3, 2016, p. A592-A598.

    Research output: Contribution to journalArticle

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    abstract = "The Solid electrolyte interphase (SEI), either naturally formed or artificially designed, plays a critical role in the stability and durability of Li-ion batteries (LIBs). It is even more important for high energy density electrodes such as Li metal anodes, which is subjected to large volumetric and interfacial variations due to Li deposition/stripping cycles during operation. Currently, there is a lack of understanding of the role of SEI/Li interfaces and their mechanical and electrochemical properties. In this paper, we present an interfacial study to evaluate the two major SEI components, LiF and Li2CO3, based on density functional theory (DFT) calculations. The calculated interfacial energy results show that the Li2CO3/Li interface has higher interfacial mechanical strength. The density of states (DOS) and electrostatic potential results demonstrate that the LiF/Li interface has higher electron tunneling energy barrier from Li metal to SEI. These results provide quantitative inputs for related meso-scale simulations and valuable insights for advanced electrode protective coating design.",
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