半导体Cd中的多态和热诱导的结构转化
Ryohei Akiyoshi1, Honoka Motokawa1, Asuka Nishibe1
1Department of Chemistry, School of Science, Kwansei Gakuin University, 1 Gakuen Uegahara, Sanda, Hyogo 669-1330, Japan.
Inorganic chemistry
|September 2, 2025
概括
研究了三种半导体协调聚合物. 热处理导致KGF-79的结构转变,产生具有第二波生成活性和光导性的极性结构.
科学领域:
- 材料科学
- 固态化学
- 晶体学
背景情况:
- 半导体协调聚合物具有可调节的电子和光学特性.
- 在 [Cd(2-SNPh) 2n 中的多态性,一个(II) 硫酸盐协调聚合物,影响结构和功能特征.
- 了解结构属性关系对于开发先进材料至关重要.
研究的目的:
- 为了研究三种 ((II) 硫酸盐协调聚合物的结构多样性和特性, [Cd ((2-SNPh) 2n.
- 阐明热诱导结构转变的机制及其对材料性能的影响.
- 探索这些材料的光导行为和充电传输机制.
主要方法:
- 单晶X射线结构分析以确定KGF-51和KGF-71的原子排列.
- 微晶电子衍射分析以描述KGF-79的1D三链结构.
- 时间分辨率的微波导电性测量以评估光导电性.
- 了解运输机制的第一原则计算.
主要成果:
- KGF-51具有1D单链梯链结构.
- KGF-71显示了一个由S·S相互作用稳定的1D双链结构.
- 热处理KGF-51和KGF-71产生KGF-79,具有增强的S·S相互作用的1D三链结构.
- KGF-79显示了从非极性结构向极性结构的过渡,导致第二波生成 (SHG) 活动.
- 这三个多态体都表现出光导性,通过跳跃沿着 (-Cd-S-) n链进行电荷传输.
结论:
- 该研究揭示了三种不同的-酸协调聚合物的多态,其尺寸和结构模式各不相同.
- 热诱导,不可逆转的转变导致极性结构 (KGF-79) 具有新兴的SHG特性.
- 无机 (-Cd-S-) n链是电荷传输的关键通道,通过跳跃机制使所有多态体具有光导性.
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