{"title":"准一维卤化铜钙钛矿CsCu2I3的结构畸变和离子扩散机制。","authors":"Sumit Ranjan Maity*, and , Yuiga Nakamura*, ","doi":"10.1021/acs.inorgchem.5c02453","DOIUrl":null,"url":null,"abstract":"<p >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, CsCu<sub>2</sub>I<sub>3</sub> stands out as a widely studied model system, exhibiting efficient Cu<sup>+</sup> 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 CsCu<sub>2</sub>I<sub>3</sub> 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<sup>+</sup> 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.</p>","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"64 31","pages":"16088–16095"},"PeriodicalIF":4.7000,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Structural Distortions and Ionic Diffusion Mechanisms in the Quasi-1D Copper Halide Perovskite CsCu2I3\",\"authors\":\"Sumit Ranjan Maity*, and , Yuiga Nakamura*, \",\"doi\":\"10.1021/acs.inorgchem.5c02453\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >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, CsCu<sub>2</sub>I<sub>3</sub> stands out as a widely studied model system, exhibiting efficient Cu<sup>+</sup> 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 CsCu<sub>2</sub>I<sub>3</sub> 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<sup>+</sup> 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.</p>\",\"PeriodicalId\":40,\"journal\":{\"name\":\"Inorganic Chemistry\",\"volume\":\"64 31\",\"pages\":\"16088–16095\"},\"PeriodicalIF\":4.7000,\"publicationDate\":\"2025-07-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.inorgchem.5c02453\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.inorgchem.5c02453","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
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.
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.