Abstract
All-solid-state batteries are typically manufactured under high pressure to decrease the resistance of the solid interface. However, until now, there has been a lack of research concerning changes in the structure of solid electrolytes owing to pressurization. Our study addresses this gap by exploring the structural modifications of the sulfide solid electrolyte Li3PS4 under high-pressure conditions. We observed a tendency for PS4 molecules to converge upon each other in both β-Li3PS4 and g-Li3PS4 crystals when subjected to a pressure of 100 MPa. In g-Li3PS4, X-ray scattering and pair distribution function analyses following pressure application and subsequent return to ambient conditions remained consistent with pre-compression measurements. Conversely, in β-Li3PS4 crystals, post-pressure X-ray scattering differed from pre-compression measurements, suggesting pressure-induced atomic rearrangement within the crystal lattice. This underscores the importance of accounting for pressure-induced structural changes, especially in computational simulation studies where crystal structures are often assumed to remain static pre- and post-pressurization. Our findings demonstrate that under high pressure, the crystal structure of Li3PS4 slightly changes by approximately 1~2%, rendering it a viable candidate for utilization as a solid electrolyte in all-solid-state batteries.
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Funding
Synchrotron radiation experiments were performed with the approval of the Japan Synchrotron Radiation Research Institute (JASRI) (Proposal Nos. 2020A1702, 2020A1703, 2021A1267, 2021B1744, 2022A1238, and 2022B1224). This work was partially supported by JSPS KAKENHI (Grant Number JP19H05814) and the Green Technologies of Excellence program (Grant Number JPMJGX23S5) of the Japan Science and Technology Agency (GteX, JST).
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All authors contributed to the study conception and design. Material preparation was performed by A. Y., S. K., and F. U. Data collection was performed by A. Y., S. K., H. Y., J. T., F. U., and K. O. Data analysis were performed by all authors. The first draft of the manuscript was written by A. Y., S. K., S. H., F. U., and K. O. and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.
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Yao, A., Kadota, S., Hiroi, S. et al. In situ structural characterization of Li3PS4 solid electrolytes under high pressure. J Solid State Electrochem (2024). https://doi.org/10.1007/s10008-024-05889-4
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DOI: https://doi.org/10.1007/s10008-024-05889-4