Li Mingyang, Lin Jiawei, Liu Kunjie, Fan Liubing, Wang Na, Guo Zhongnan, Yuan Wenxia, Zhao Jing, Liu Quanlin
The Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing 100083, China.
Department of Chemistry, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, China.
Inorg Chem. 2021 Aug 2;60(15):11429-11434. doi: 10.1021/acs.inorgchem.1c01440. Epub 2021 Jul 9.
Low-dimensional organic-inorganic metal halides (OIMHs), as emerging light-emitting materials, have aroused widespread attention owing to their unique structural tunability and photoelectric characteristics. OIMHs are also promising materials for optoelectronic equipment, light-emitting diodes, and photodetectors. In this study, (CHN)SbCl (CHN is an -methylethylenediamine cation), a new zero-dimensional OIMH, has been reported, and (CHN)SbCl possesses a 2/ space group. The (CHN)SbCl structure contains [SbCl] dimers (composed of two edge-sharing [SbCl] octahedra) that are surrounded by CHN cations. The experimental band gap of (CHN)SbCl is 3.80 eV, and density functional theory calculation demonstrates that (CHN)SbCl possesses a direct band gap, with the edge of the band gap mainly contributed from the inorganic units. (CHN)SbCl exhibits good ambient and thermal stability. Under 395 nm excitation at room temperature, (CHN)SbCl exhibits a broad emission with a full width at half-maximum of ∼114 nm, peaking at 480 nm, and the broad emission was ascribed to self-trapped exciton emission.
低维有机-无机金属卤化物（OIMHs）作为新兴的发光材料，因其独特的结构可调控性和光电特性而受到广泛关注。OIMHs也是用于光电器件、发光二极管和光电探测器的有前景的材料。在本研究中，报道了一种新型零维OIMH（CHN）SbCl（CHN为甲基乙二胺阳离子），且（CHN）SbCl具有2/空间群。（CHN）SbCl结构包含由CHN阳离子包围的[SbCl]二聚体（由两个共边的[SbCl]八面体组成）。（CHN）SbCl的实验带隙为3.80 eV，密度泛函理论计算表明（CHN）SbCl具有直接带隙，带隙边缘主要由无机单元贡献。（CHN）SbCl表现出良好的环境稳定性和热稳定性。在室温下395 nm激发下，（CHN）SbCl表现出半高宽约为114 nm的宽发射，峰值在480 nm，且该宽发射归因于自陷激子发射。
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