化学
固态核磁共振
离子电导率
锂(药物)
快离子导体
晶体结构
离子键合
结构精修
电解质
塑料晶体
中子衍射
相(物质)
结晶学
离子
物理化学
核磁共振
有机化学
电极
物理
内分泌学
医学
作者
Zhantao Liu,Tatiana Zinkevich,Sylvio Indris,Xingfeng He,Jue Liu,Wenqian Xu,Jianming Bai,Shan Xiong,Yifei Mo,Hailong Chen
标识
DOI:10.1021/acs.inorgchem.9b01751
摘要
Tremendous efforts have been devoted to the design of solid Li+ electrolytes and the development of all-solid-state batteries. Compared with conventional Li-ion batteries, which use flammable liquid organic electrolytes, all-solid-state batteries show significant advantages in safety. In this work, a novel lithium chlorothiophosphate compound, Li15P4S16Cl3, is discovered. The crystal structure and electrochemical properties are investigated. Li15P4S16Cl3 can be synthesized as a pure phase via a facile solid-state reaction by heating a ball-milled mixture of Li2S, P2S5, and LiCl at 360 °C. The crystal structure of Li15P4S16Cl3 was refined against neutron and synchrotron powder X-ray diffraction data, revealing that it crystallizes in the space group I4̅3d. The Li+ transport in Li15P4S16Cl3 was also investigated by multiple solid-state NMR methods, including variable-temperature NMR line-shape analysis, NMR relaxometry, and pulsed-field-gradient NMR. Li15P4S16Cl3 shows good thermodynamic stability and can be synthesized at relatively low temperature. Although it exhibits a low ionic conductivity at room temperature, it can serve as a new motif crystal structure for the design and development of new solid-state electrolytes.
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