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Structural analysis and ionic conduction mechanism of sulfide-based solid electrolytes doped with Br.

ABSTRACT: Sulfide glasses can exhibit notable ionic conductivity because of annealing-associated crystallization. One well-known example is Li₇P₃S₁₁. Our research showed that adding bromine (Br) to Li₃PS₄ sulfide glass results in a similar crystal structure and high ionic conductivity comparable to that of another compound Li₁₀GeP₂S₁₂. This structure differs from the PS₄ anion framework of Li₃PS₄. In addition, the ionic conductivity decreases owing to a structural transition to the β-phase. Herein, we present our findings on the local structure of Li₃PS₄ sulfide glass and its crystallized glass ceramic with the addition of Br. This analysis relies on the pair distribution function analysis obtained from high-energy X-ray diffraction. Moreover, using the bond valence sum method, we verified that incorporating Br promotes the formation of Li ionic conduction pathways. Our results indicate that precise control over the anion molecular structure by introducing halogens holds promise for achieving high Li-ion conductivity.

SUBMITTER: Yamaguchi H

PROVIDER: S-EPMC10520000 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature

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Structural analysis and ionic conduction mechanism of sulfide-based solid electrolytes doped with Br.

Yamaguchi Hiroshi H Kobayashi Kentaro K Hiroi Satoshi S Utsuno Futoshi F Ohara Koji K

Scientific reports 20230925 1

Sulfide glasses can exhibit notable ionic conductivity because of annealing-associated crystallization. One well-known example is Li7P3S11. Our research showed that adding bromine (Br) to Li3PS4 sulfide glass results in a similar crystal structure and high ionic conductivity comparable to that of another compound Li10GeP2S12. This structure differs from the PS4 anion framework of Li3PS<s ...[more]

PMID: 37749165

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Project description:Correlations among the structure, thermal properties, and ionic conductivity of solid polymer electrolytes (SPEs) were studied using a ureasil-polyethylene oxide (U-PEO) organic-inorganic hybrid prepared according to a simple sol-gel route, employing a low molecular weight PEO macromer (M w = 1900 g mol-1). The behavior of an amorphous sample loaded with lithium triflate (LiTFSI) at an optimum ratio between ether oxygen and lithium (EO/Li+ = 15) was compared with that of a semicrystalline sample prepared without salt loading. The temperature range investigated by differential scanning calorimetry (DSC), Raman spectroscopy, small angle X-ray scattering (SAXS), and complex impedance spectroscopy covered both the glass transition and the melting temperature of the U-PEO. The gauche to trans conformational transformation of the (O-C-C-O)Li+ sequence showed similarity between the temperature evolution of the semi-crystalline U-PEO and amorphous U-PEO:Li+ samples, providing an indication of the local structural memory of crystalline state in the amorphous SPE. The linear thermal expansion of the average correlation distance between the siloxane crosslink nodes and the long-distance period of the lamellar semi-crystalline edifice were determined by SAXS. Comparison of the expansion curves suggested that although the siloxane nodes were excluded from the PEO crystalline edifice, the sharp expansion of the amorphous region between the lamellae during melting permitted modulation of the free volume of the hybrid network. In addition, the temperature-induced Li+-EO decomplexation observed by Raman spectroscopy explained the change of the average activation energy of the conduction process revealed by the different Arrhenius regimes. These results evidence the key role of the ionic conductivity decoupling from the segmental motion of chain pair channels on the improvement of ion mobility through the free volume between chains. This concept may inspire materials chemistry researchers to design optimized structures of polymer electrolytes with minimized structural memory of crystaline building blocks and improved ionic conductivity.

Dataset Information

Structural analysis and ionic conduction mechanism of sulfide-based solid electrolytes doped with Br.

Publications

Structural analysis and ionic conduction mechanism of sulfide-based solid electrolytes doped with Br.

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