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Compression Behavior of Copper Hydroxyfluoride CuOHF as a Case Study of the High-Pressure Responses of the Hydrogen-Bonded Two-Dimensional Layered Materials
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2019-10-07 , DOI: 10.1021/acs.jpcc.9b07433 Hui Tian 1 , Yingying Wang 1 , Jian Zhang 1 , Yanmei Ma 1 , Hang Cui 1 , Qiliang Cui 1 , Yanming Ma 1
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2019-10-07 , DOI: 10.1021/acs.jpcc.9b07433 Hui Tian 1 , Yingying Wang 1 , Jian Zhang 1 , Yanmei Ma 1 , Hang Cui 1 , Qiliang Cui 1 , Yanming Ma 1
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Combined experimental and theoretical investigations on the compression behavior of CuOHF, as a case study of the high-pressure responses of hydrogen-bonded two-dimensional layered materials, are presented. The characteristics of hydrogen bonds endow these materials with more complicated physics and chemistry under high pressures. CuOHF undergoes two pressure-induced structural phase transitions below 38.2 GPa. The first one occurs isostructurally at 7.8 GPa, evidenced by subtle changes of interlayer spacing due to layer sliding along the a–b basal plane. A further dimensionality transition from the 2D layered structure to a 3D amorphous one takes place at 22.5 GPa. Both transitions are accompanied with variations of the spatial configurations of hydrogen bonds and attributed to competition and collaboration between the interlayer hydrogen bonds and intralayer strong chemical bonds. Theoretical simulations confirm the phase transitions and present deeper insights into the structure–property correlations.
中文翻译：
以氢键二维层状材料的高压响应为例的氢氟酸铜CuOHF压缩行为
结合实验研究和理论研究CuOHF的压缩行为，以氢键二维层状材料的高压响应为例。氢键的特性使这些材料在高压下具有更复杂的物理和化学性质。CuOHF在低于38.2 GPa的压力下经历了两次压力诱导的结构相变。第一个以7.8 GPa等结构发生，这是由于层沿a – b滑动而引起的层间间距的细微变化所证明的。基面。从2D层状结构到3D非晶态的进一步尺寸转换在22.5 GPa处发生。两种转变都伴随着氢键空间构型的变化，并归因于层间氢键和层内强化学键之间的竞争和协同作用。理论仿真证实了相变，并提供了对结构-特性相关性的更深刻的见解。
更新日期：2019-10-07
中文翻译：
以氢键二维层状材料的高压响应为例的氢氟酸铜CuOHF压缩行为
结合实验研究和理论研究CuOHF的压缩行为，以氢键二维层状材料的高压响应为例。氢键的特性使这些材料在高压下具有更复杂的物理和化学性质。CuOHF在低于38.2 GPa的压力下经历了两次压力诱导的结构相变。第一个以7.8 GPa等结构发生，这是由于层沿a – b滑动而引起的层间间距的细微变化所证明的。基面。从2D层状结构到3D非晶态的进一步尺寸转换在22.5 GPa处发生。两种转变都伴随着氢键空间构型的变化，并归因于层间氢键和层内强化学键之间的竞争和协同作用。理论仿真证实了相变，并提供了对结构-特性相关性的更深刻的见解。
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