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April 29, 2026Chemical Science0 citationsOpen Access

Anion-sublattice engineering of Li 3 PS 4 :Br and I incorporation enhances ionic conductivity and Li-metal compatibility

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TPTej P. PoudelMDMichael J. DeckIOIfeoluwa P. Oyekunle

Key Points

  • This research aims to investigate the effects of halide substitution on ionic conductivity and lithium-metal compatibility in Li3PS4.
  • Used Br- and I- substitution in Li3PS4 to create local anion disorder.
  • Analyzed changes in lithium coordination and migration barriers.
  • Evaluated the resulting glassy phase for lithium-metal compatibility and battery performance.
  • Br- and I- substitution lowered migration barriers, improving ionic conductivity.
  • Enhanced battery performance due to better lithium-metal compatibility was observed.
  • Local anion disorder diversified Li+ coordination.

Abstract

Halide (Br − , I − ) substitution in Li 3 PS 4 creates local anion disorder, diversifies Li + coordination, and lowers migration barriers for fast-ion conduction. The resulting glassy phase enhances Li metal compatibility and enhances battery performance.

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Cite This Study

Poudel et al. (2026) studied this question.

synapsesocial.com/papers/69f1a033edf4b46824806dedhttps://doi.org/10.1039/d6sc00740f
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