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Rapid crystallization and kinetic freezing of site-disorder in the lithium superionic argyrodite Li₆PS₅Br

Title data

Gautam, Ajay ; Sadowski, Marcel ; Prinz, Nils ; Eickhoff, Henrik ; Minafra, Nicolo ; Ghidiu, Michael ; Culver, Sean P. ; Albe, Karsten ; Fässler, Th.F. ; Zobel, Mirijam ; Zeier, Wolfgang:
Rapid crystallization and kinetic freezing of site-disorder in the lithium superionic argyrodite Li₆PS₅Br.
In: Chemistry of Materials. (15 November 2019) .
ISSN 1520-5002
DOI: https://doi.org/10.1021/acs.chemmater.9b03852

Abstract in another language

Lithium argyrodite superionic conductors are currently being investigated as solid electrolytes for all-solid-state batteries. Recently, in the lithium argyrodite Li6PS5X (X = Cl, Br, I), a site-disorder between the anions S2– and X– has been observed, which strongly affects the ionic transport and appears to be a function of the halide present. In this work, we show how such disorder in Li6PS5Br can be engineered via the synthesis method. By comparing fast cooling (i.e. quenching) to more slowly cooled samples, we find that anion site-disorder is higher at elevated temperatures, and that fast cooling can be used to kinetically trap the desired disorder, leading to higher ionic conductivities as shown by impedance spectroscopy in combination with ab-initio molecular dynamics. Furthermore, we observe that after milling, a crystalline lithium argyrodite can be obtained within one minute of heat treatment. This rapid crystallization highlights the reactive nature of mechanical milling and shows that long reaction times with high energy consumption are not needed in this class of materials. The fact that site-disorder induced via quenching is beneficial for ionic transport provides an additional approach for the optimization and design of lithium superionic conductors.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Juniorprofessur Festkörperchemie - Mesostrukturierte Materialien > Juniorprofessur Festkörperchemie - Mesostrukturierte Materialien - Juniorprof. Dr. Mirijam Zobel
Research Institutions > Affiliated Institutes > Bavarian Polymer Institute (BPI)
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 500 Natural sciences
500 Science > 540 Chemistry
600 Technology, medicine, applied sciences
Date Deposited: 19 Nov 2019 07:50
Last Modified: 19 Nov 2019 07:50
URI: https://eref.uni-bayreuth.de/id/eprint/53270