Fast Lithium Ion Conduction in Li2SnS3: Synthesis, Physicochemical Characterization, and Electronic Structure

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• 作者：Jacilynn A. Brant ; Danielle M. Massi ; N. A. W. Holzwarth ; Joseph H. MacNeil ; Alexios P. Douvalis ; Thomas Bakas ; Steve W. Martin ; Michael D. Gross ; Jennifer A. Aitken
• 刊名：Chemistry of Materials
• 出版年：2015
• 出版时间：January 13, 2015
• 年：2015
• 卷：27
• 期：1
• 页码：189-196
• 全文大小：506K
• ISSN：1520-5002

文摘

Li₂SnS₃ is a fast Li⁺ ion conductor that exhibits high thermal stability (mp 鈭?50 掳C) as well as environmental stability under ambient conditions. Polycrystalline Li₂SnS₃ was synthesized using high-temperature, solid-state synthesis. According to single-crystal X-ray diffraction, Li₂SnS₃ has a sodium chloride-like structure (space group C2/c), a result supported by synchrotron X-ray powder diffraction and ¹¹⁹Sn M枚ssbauer spectroscopy. According to impedance spectroscopy, Li₂SnS₃ exhibits Li⁺ ion conductivity up to 1.6 脳 10^鈥? S/cm at 100 掳C, which is among the highest for ternary chalcogenides. First-principles simulations of Li₂SnS₃ and the oxide analogue, Li₂SnO₃, provide insight into the basic properties and mechanisms of the ionic conduction. The high thermal stability, significant lithium ion conductivity, and environmental stability make Li₂SnS₃ a promising new solid-state electrolyte for lithium ion batteries.