当前位置：
X-MOL 学术
›
Chem. Mater.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Structure and Diffusion Pathways in Li6PS5Cl Argyrodite from Neutron Diffraction, Pair-Distribution Function Analysis, and NMR
Chemistry of Materials ( IF 7.2 ) Pub Date : 2020-09-14 , DOI: 10.1021/acs.chemmater.0c02418 Ruth Schlenker 1, 2 , Anna-Lena Hansen 1 , Anatoliy Senyshyn 3 , Tatiana Zinkevich 4 , Michael Knapp 1 , Thomas Hupfer 2 , Helmut Ehrenberg 1 , Sylvio Indris 1
Chemistry of Materials ( IF 7.2 ) Pub Date : 2020-09-14 , DOI: 10.1021/acs.chemmater.0c02418 Ruth Schlenker 1, 2 , Anna-Lena Hansen 1 , Anatoliy Senyshyn 3 , Tatiana Zinkevich 4 , Michael Knapp 1 , Thomas Hupfer 2 , Helmut Ehrenberg 1 , Sylvio Indris 1
Affiliation
|
The interest in all solid-state batteries has increased notably over the last years. Reasons are, among others, the demand for higher energy densities in storage devices and considerable safety issues in classical battery systems based on liquid electrolytes. One solution is the usage of solid electrolytes in battery systems. Because the crystal structure highly correlates with ion migration, the focus of our work is a detailed determination of the structure and Li pathways in the solid electrolyte argyrodite-type Li6PS5Cl. With neutron diffraction an additional Li site was experimentally detected. The comparison of maximum entropy method and differential bond valence analysis revealed the Li ion hopping pathways. With pair-distribution function analysis, a distortion of the [PS4]3– tetrahedra resulting in a local monoclinic structure is found. A modulation of the local monoclinic structure is averaged out on longer length scales to an overall cubic structure that is known from the literature.
中文翻译：
中子衍射，成对分布函数分析和核磁共振研究Li 6 PS 5 Cl菱铁矿的结构和扩散途径
在过去的几年中，对所有固态电池的兴趣显着增加。原因尤其是在存储设备中需要更高的能量密度，并且在基于液体电解质的传统电池系统中存在相当大的安全问题。一种解决方案是在电池系统中使用固体电解质。由于晶体结构与离子迁移高度相关，因此我们的工作重点是详细确定固态电解质银辉石型Li 6 PS 5 Cl的结构和Li途径。用中子衍射实验地检测到另外的Li位点。最大熵方法和微分键价分析的比较揭示了锂离子跳跃路径。通过对分布函数分析，[PS4 ] 3–四面体导致局部单斜晶结构。局部单斜晶结构的调制在较长的长度尺度上平均为从文献中已知的整体立方结构。
更新日期：2020-10-13
中文翻译：
中子衍射，成对分布函数分析和核磁共振研究Li 6 PS 5 Cl菱铁矿的结构和扩散途径
在过去的几年中，对所有固态电池的兴趣显着增加。原因尤其是在存储设备中需要更高的能量密度，并且在基于液体电解质的传统电池系统中存在相当大的安全问题。一种解决方案是在电池系统中使用固体电解质。由于晶体结构与离子迁移高度相关，因此我们的工作重点是详细确定固态电解质银辉石型Li 6 PS 5 Cl的结构和Li途径。用中子衍射实验地检测到另外的Li位点。最大熵方法和微分键价分析的比较揭示了锂离子跳跃路径。通过对分布函数分析，[PS4 ] 3–四面体导致局部单斜晶结构。局部单斜晶结构的调制在较长的长度尺度上平均为从文献中已知的整体立方结构。
京公网安备 11010802027423号