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

被引：88

作者：

Brant, Jacilynn A. ^{[1
]}

Massi, Danielle M. ^{[1
]}

Holzwarth, N. A. W. ^{[2
]}

MacNeil, Joseph H. ^{[6
]}

Douvalis, Alexios P. ^{[4
]}

Bakas, Thomas ^{[4
]}

Martin, Steve W. ^{[5
]}

Gross, Michael D. ^{[3
]}

Aitken, Jennifer A. ^{[1
]}

机构：

[1] Duquesne Univ, Dept Chem & Biochem, Pittsburgh, PA 15282 USA

[2] Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA

[3] Wake Forest Univ, Dept Chem, Winston Salem, NC 27109 USA

[4] Univ Ioannina, Dept Phys, GR-45110 Ioannina, Greece

[5] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA

[6] Chatham Univ, Dept Chem, Pittsburgh, PA 15232 USA

来源：

CHEMISTRY OF MATERIALS | 2015年 / 27卷 / 01期

基金：

美国国家科学基金会;

关键词：

ELECTRICAL-CONDUCTIVITY; THIO-LISICON; SYSTEM; MOSSBAUER; ELECTROLYTES; SPECTROMETRY; CRYSTALS; DYNAMICS; NMR;

D O I：

10.1021/cm5037524

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Li2SnS3 is a fast Li+ ion conductor that exhibits high thermal stability (mp similar to 750 degrees 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 Sn-119 Mossbauer spectroscopy. According to impedance spectroscopy, Li2SnS3 exhibits Li+ ion conductivity up to 1.6 x 10(-3) S/cm at 100 degrees 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.

引用

页码：189 / 196

页数：8

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