准一维卤化铜钙钛矿CsCu2I3的结构畸变和离子扩散机制。

IF 4.7 2区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR
Sumit Ranjan Maity*,  and , Yuiga Nakamura*, 
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引用次数: 0

摘要

铜基全无机卤化物钙钛矿因其独特的准一维晶体结构和具有良好的光电和离子输运性能而受到越来越多的关注。其中,CsCu2I3是一个被广泛研究的模型体系,具有低活化能、高效的Cu+离子扩散、强光致发光和宽带发射等特点。在这项研究中,我们使用高分辨率同步加速器x射线衍射来阐明CsCu2I3的晶体结构,并发现了微妙的局部扭曲,表明与先前接受的结构模型有所偏差。通过将温度相关的同步加速器测量与先进的结构分析相结合,我们探索了Cu+离子的输运机制并量化了相应的活化能。我们的研究结果揭示了局部结构扭曲和离子迁移率之间的强耦合,为光电和能源相关应用中铜基卤化物钙钛矿的合理设计和优化提供了重要见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Structural Distortions and Ionic Diffusion Mechanisms in the Quasi-1D Copper Halide Perovskite CsCu2I3

Structural Distortions and Ionic Diffusion Mechanisms in the Quasi-1D Copper Halide Perovskite CsCu2I3

Copper-based all-inorganic halide perovskites have garnered increasing attention due to their distinctive quasi-one-dimensional crystal structures and promising optoelectronic and ionic transport properties. Among them, CsCu2I3 stands out as a widely studied model system, exhibiting efficient Cu+ ion diffusion with low activation energy, along with strong photoluminescence and broadband emission. In this study, we employed high-resolution synchrotron X-ray diffraction to elucidate the crystal structure of CsCu2I3 and uncovered subtle local distortions, indicating a deviation from the previously accepted structural model. By integrating temperature-dependent synchrotron measurements with advanced structural analysis, we probed the Cu+ ion transport mechanism and quantified the corresponding activation energy. Our findings reveal a strong coupling between local structural distortions and ionic mobility, offering critical insights for the rational design and optimization of copper-based halide perovskites in optoelectronic and energy-related applications.

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来源期刊
Inorganic Chemistry
Inorganic Chemistry 化学-无机化学与核化学
CiteScore
7.60
自引率
13.00%
发文量
1960
审稿时长
1.9 months
期刊介绍: Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.
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