Optical properties of [MMim][CuI] crystals with 0D single-core trigonal planar structures

• Published in: CrystEngComm 2024-12, Vol.27 (1), p.38-45
• Main Authors: Han, Jiali, Zhu, Shujun, Chen, Xinxin, Zhou, Haichao, Pan, Jianguo, Pan, Shangke
• Format: Article
• ISSN: 1466-8033
• DOI: 10.1039/d4ce00750f

In recent years, lead-free organic-inorganic hybrid zero-dimensional metal halides have attracted considerable attention due to their outstanding optical properties, largely attributed to the confinement of localized metal groups. We report the discovery of a newly structured [MMim] 2 [CuI 3 ] crystal with a distinct [CuI 3 ] 2− trigonal planar structure encapsulated by inert organic [MMim] + clusters. The structure, composition, and thermal stability of the crystal were analyzed using XRD and TG-DTA. The optical properties of [MMim] 2 [CuI 3 ] crystals were both experimentally measured and theoretically calculated. These crystals exhibit intense broadband orange luminescence with pronounced Stokes shifts and a microsecond-scale fluorescence lifetime decay, primarily due to self-trapped exciton emission. Temperature-dependent fluorescence spectra were also recorded to explore the luminescence mechanism. In summary, these findings highlight the remarkable potential of lead-free [MMim] 2 [CuI 3 ] crystals in advancing optoelectronic applications. Optical properties of [MMim] 2 [CuI 3 ] crystals with 0D single-core trigonal planar structures.