Light-Emitting 0D Hybrid Metal Halide (C<sub>3</sub>H<sub>12</sub>N<sub>2</sub>)<sub>2</sub>Sb<sub>2</sub>Cl<sub>10</sub> with Antimony Dimers
Mingyang Li, Jiawei Lin, Kunjie Liu, Liubing Fan, Na Wang, Zhongnan Guo, Wenxia Yuan, Jing Zhao, Quanlin Liu
Abstract
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, (C 3 H 12 N 2 ) 2 Sb 2 Cl 10 (C 3 H 12 N 2 2+ is an N -methylethylenediamine cation), a new zero-dimensional OIMH, has been reported, and (C 3 H 12 N 2 ) 2 Sb 2 Cl 10 possesses a P 2 1 / n space group. The (C 3 H 12 N 2 ) 2 Sb 2 Cl 10 structure contains [Sb 2 Cl 10 ] 4– dimers (composed of two edge-sharing [SbCl 6 ] 3– octahedra) that are surrounded by C 3 H 12 N 2 2+ cations. The experimental band gap of (C 3 H 12 N 2 ) 2 Sb 2 Cl 10 is 3.80 eV, and density functional theory calculation demonstrates that (C 3 H 12 N 2 ) 2 Sb 2 Cl 10 possesses a direct band gap, with the edge of the band gap mainly contributed from the inorganic units. (C 3 H 12 N 2 ) 2 Sb 2 Cl 10 exhibits good ambient and thermal stability. Under 395 nm excitation at room temperature, (C 3 H 12 N 2 ) 2 Sb 2 Cl 10 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.