Journal article

Mechanochemical Synthesis and Structure of Lithium Tetrahaloaluminates, LiAlX4 (X = Cl, Br, I): A Family of Li-Ion Conducting Ternary Halides


Authors listFlores-Gonzalez, Nicolas; Minafra, Nicolo; Dewald, Georg; Reardon, Hazel; Smith, Ronald, I; Adams, Stefan; Zeier, Wolfgang G.; Gregory, Duncan H.

Publication year2021

Pages652-657

JournalACS Materials Letters

Volume number3

Issue number5

eISSN2639-4979

Open access statusHybrid

DOI Linkhttps://doi.org/10.1021/acsmaterialslett.1c00055

PublisherAmerican Chemical Society


Abstract
State-of-the-art oxides and sulfides with high Li-ion conductivity and good electrochemical stability are among the most promising candidates for solid-state electrolytes in secondary batteries. Yet emerging halides offer promising alternatives because of their intrinsic low Li+ migration energy barriers, high electrochemical oxidative stability, and beneficial mechanical properties. Mechanochemical synthesis has enabled the characterization of LiAlX4 compounds to be extended and the iodide, LiAlI4, to be synthesized for the first time (monoclinic P2(1)/c, Z = 4; a = 8.0846(1) angstrom; b = 7.4369(1) angstrom; c = 14.8890(2) angstrom; beta = 93.0457(8)degrees). Of the tetrahaloaluminates, LiAlBr4 exhibited the highest ionic conductivity at room temperature (0.033 mS cm(-1)), while LiAlCl4 showed a conductivity of 0.17 mS cm-1 at 333 K, coupled with the highest thermal and oxidative stability. Modeling of the diffusion pathways suggests that the Li-ion transport mechanism in each tetrahaloaluminate is closely related and mediated by both halide polarizability and concerted complex anion motions.



Citation Styles

Harvard Citation styleFlores-Gonzalez, N., Minafra, N., Dewald, G., Reardon, H., Smith, R., Adams, S., et al. (2021) Mechanochemical Synthesis and Structure of Lithium Tetrahaloaluminates, LiAlX4 (X = Cl, Br, I): A Family of Li-Ion Conducting Ternary Halides, ACS Materials Letters, 3(5), pp. 652-657. https://doi.org/10.1021/acsmaterialslett.1c00055

APA Citation styleFlores-Gonzalez, N., Minafra, N., Dewald, G., Reardon, H., Smith, R., Adams, S., Zeier, W., & Gregory, D. (2021). Mechanochemical Synthesis and Structure of Lithium Tetrahaloaluminates, LiAlX4 (X = Cl, Br, I): A Family of Li-Ion Conducting Ternary Halides. ACS Materials Letters. 3(5), 652-657. https://doi.org/10.1021/acsmaterialslett.1c00055


Last updated on 2025-10-06 at 11:25