DataVXACS Materials LettersPaper
journal article·2021-05-03Open access

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

Nicolás Flores-González, Nicolò Minafra, Georg Dewald, Hazel Reardon, Ronald I. Smith, Stefan Adams, Wolfgang G. Zeier, Duncan H. Gregory

ACS Materials Letters· Volume 3· Issue 5
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Source abstract

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 P21/c, Z = 4; a = 8.0846(1) Å; b = 7.4369(1) Å; c = 14.8890(2) Å; β = 93.0457(8)°). 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.
Source: europepmc · Quality: candidate unverified · Source record ↗

Research context

Energy storage

OpenAlex topics: Advanced Battery Materials and Technologies · Thermal Expansion and Ionic Conductivity · Advancements in Battery Materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Chemistry, University of Glasgow, Joseph Black Building, Glasgow G12 8QQ, U.K.

Institute for Inorganic and Analytical Chemistry, University of Münster, Correnstrasse 39, 48149 Münster, Germany

Institute of Physical Chemistry, Justus-Liebig-University Giessen, Heinrich-Buff-Ring 17, D-35392 Giessen, Germany

ISIS Pulsed Neutron and Muon Source, STFC Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0QX, U.K.

Department of Materials Science and Engineering, National University of Singapore, 9 Engineering Drive 1, 117575, Singapore

Funding

Engineering and Physical Sciences Research Council · Paul Scherrer Institut · Science and Technology Facilities Council · Deutsche Forschungsgemeinschaft · Royal Society of Chemistry · Comisi?n Nacional de Investigaci?n Cient?fica y Tecnol?gica

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