塑料晶体
材料科学
化学物理
相变
离子键合
熔点
离子电导率
离子
电解质
相(物质)
快离子导体
Crystal(编程语言)
晶体结构
热力学
结晶学
物理化学
化学
有机化学
复合材料
物理
计算机科学
程序设计语言
电极
作者
Nanditha Sirigiri,Fang Fang Chen,Craig M. Forsyth,Ruhamah Yunis,Luke A. O’Dell,Jennifer M. Pringle,Maria Forsyth
标识
DOI:10.1016/j.mtphys.2022.100603
摘要
Organic ionic plastic crystals (OIPCs) containing organic cations and inorganic anions are gaining tremendous attention as an unconventional type of crystalline material. They usually possess one or more solid-solid phase transitions due to different levels of thermodynamic molecular motion, and also display diverse ionic conductivity and plasticity. Until today, we have not fully understood the main determinants of these properties, which are critical to designing the material to meet requirements for practical applications, such as solid-state battery electrolytes. In this work, we conducted a comprehensive experimental and computational investigation on a recently reported ammonium-based OIPC, which possesses only a single solid-solid phase transition before melting. This material maintains a very organized structure orderly at temperatures up to the melting point. The volume expansion along three sides of the crystal structure during heating is anisotropic, mainly on the a-side, controlled by different interionic forces between adjacent ions in each direction. The c-side of the crystal lattice experiences the strongest attraction, such as hydrogen bonding, reflected in the shortest CH⋅⋅⋅O distance of 2.293 Å, which is believed to hinder the rotation and translation of ions, thus decreases the plasticity of OIPC, and also results in the preservation of the long-range crystalline order. The single OIPC phase transition here is due to the growth in the rotational motions of the cations and anions. These observations are different from the previously reported phosphonium salt, suggesting that the interionic force and chemical structures significantly affect the physical, thermodynamic and phase behavior of OIPCs.
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