在高压下,基质二维矿的基质依赖性结构转化
Meng-En Sun1, Yonggang Wang2, Fei Wang3
1Henan Key Laboratory of Crystalline Molecular Functional Materials, Henan International Joint Laboratory of Tumor Theranostical Cluster Materials, Green Catalysis Center, and College of Chemistry, Zhengzhou University, Zhengzhou 450001, P. R. China.
Journal of the American Chemical Society
|April 14, 2023
概括
矿具有独特的压力诱导的结构变化和负线性压缩性 (NLC) 由于不对称的键. 在压力下,阿希拉矿缺乏这些依赖于性的效应.
科学领域:
- 材料科学
- 固态化学
- 晶体学
背景情况:
- 化矿对自旋和基于偏振的光电子具有前景.
- 性转移的机制及其在极端条件下的影响尚不清楚.
- 在压力下进行比较的系统性研究很少.
研究的目的:
- 合成并研究化和化矿.
- 探讨状矿和状矿之间的压力依赖的结构和光学差异.
- 阐明结构性性在水静压下的材料行为中的作用.
主要方法:
- 合成反体 (S/R-3PYEA) PbI4 和无体 (rac-3PYEA) PbI4 的矿.
- 使用像X射线衍射这样的技术进行高压结构特征.
- 分析结构演变和结合的第一原则计算.
主要成果:
- 奇拉 (S/R-3PYEA) PbI4 显示压力诱导的相位转换约为 7.0 GPa,带有带隙红跳和压色.
- 在进一步压缩时,在性矿中观察到负线性压缩性 (NLC).
- 由于平衡的键,Achiral (rac-3PYEA) PbI4 缺乏这些依赖于性的过渡和NLC.
结论:
- 压力驱动的性有机离子倾斜会诱导不对称的键,导致性矿中的结构转换和NLC.
- 在性矿中增强的不对称性导致[PbI6]4-八面体的显著扭曲.
- 由于平衡键的抵消力,阿基拉矿不会表现出这些现象.
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