下部结构
化学
快离子导体
离子电导率
中子衍射
离子
电导率
卤化物
结晶学
锂(药物)
电解质
分析化学(期刊)
无机化学
物理化学
晶体结构
有机化学
工程类
内分泌学
医学
结构工程
色谱法
电极
作者
Ajay Gautam,Michael Ghidiu,Emmanuelle Suard,Marvin A. Kraft,Wolfgang G. Zeier
标识
DOI:10.26434/chemrxiv.14607411.v1
摘要
Superionic lithium argyrodites are attractive as solid electrolytes for all-solid-state-batteries. These materials of composition Li 6 PS 5 X (X = Cl, Br, and I) exhibit structural disorder between the X − /S 2− positions, with higher disorder realizing better Li + transport. Further replacement of the sulfide by chloride anions (for the series Li 7 −x PS 6 −x Cl x ) has been shown to increase the ionic conductivity. However, the underlying changes to the lithium substructure are still relatively unknown. Here we explore a larger range of nominal halide compositions in this material from x = 0.25 to x = 1.5 and explore the changes with neutron diffraction and impedance spectroscopy. The replacement of S 2− by Cl − causes a lowered average charge in the center of the prevalent Li + “cages”, which in turn causes weaker interactions with Li + ions. Analysis of neutron diffraction data reveals that the increased Cl − content causes these clustered Li + “cages” to become more interconnected, thereby increasing Li + conductivity through the structure. This study explores the understanding of the fundamental structure–transport correlations in the argyrodites, specifically structural changes withinthe Li + ion substructure upon changing anionic charge distribution.
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