Correlation of Structure and Fast Ion Conductivity in the Solid Solution Series Li1+2xZn1–x PS 4

Kaup, Kavish; Lalère, Fabien; Huq, Ashfia; Shyamsunder, Abhinandan; Adermann, Torben; Hartmann, Pascal; Nazar, Linda F.

doi:10.1021/acs.chemmater.7b05108

Title: Correlation of Structure and Fast Ion Conductivity in the Solid Solution Series Li_1+2xZn_1–x PS ₄

Journal Article · Tue Feb 06 00:00:00 EST 2018 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.7b05108· OSTI ID:1436802

Kaup, Kavish ^[1]; Lalère, Fabien ^[1]; Huq, Ashfia ^[2]; Shyamsunder, Abhinandan ^[1]; Adermann, Torben ^[3]; Hartmann, Pascal ^[3];

^[1]

Univ. of Waterloo, ON (Canada)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
BASF SE, Ludwigshafen (Germany)

Solid electrolytes are the foundation of all-solid-state batteries (ASSB) and have the potential to provide improved safety and higher energy density than existing liquid battery systems. In the important search for new lithium ion conductors with fast ionic conductivity and good mechanical properties, thiophosphates are a particularly promising class of materials. The first experimental elucidation of new lithium ion conductors in the Li_1+2xZn_1-xPS₄ (LZPS) solid solution whose existence had been predicted by theory is reported in this paper. Using neutron and synchrotron x-ray powder diffraction together with electrical impedance, and Raman studies, we resolve their crystalline nature and correlate this with ionic conductivity upon increasing the lithium/zinc ratio. We demonstrate that the materials exhibit high experimental ionic conductivities - up to 8 × 10^-4 S·cm^-1 - and show the nature of likely pathways for lithium ion conduction.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: BASF International Scientific Network for Electrochemistry and Batteries; Natural Sciences and Engineering Research Council of Canada (NSERC); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1436802

Journal Information:: Chemistry of Materials, Vol. 30, Issue 3; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 39 works

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Crystal structure
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Title: Correlation of Structure and Fast Ion Conductivity in the Solid Solution Series Li1+2xZn1–x PS 4

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Title: Correlation of Structure and Fast Ion Conductivity in the Solid Solution Series Li_1+2xZn_1–x PS ₄