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Updated: Sep 5, 2025

Facile Synthesis of Colloidal Lead Halide Perovskite Nanoplatelets via Ligand-Assisted Reprecipitation
Published on: October 1, 2019
A first-principles study of exciton self-trapping and electric polarization in one-dimensional organic lead halide
Xingxing Jiang1, Zhengwei Xu1, Yueshao Zheng1
1Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics & Devices, School of Physics and Electronics, Hunan University, Changsha 410082, China. zengjiang@pku.edu.cn.
Abstract:
Revealing the origin of self-trapped excitons is a prerequisite for further improving the photoluminescence efficiency of low-dimensional organic perovskites. Here, the microscopic formation mechanism of intrinsic self-trapped excitons in one-dimensional (1D) C4N2H14PbX4 (X = Cl, Br and I) systems is investigated, and the polarization-luminescence relationship is established. Our results show that 1D-C4N2H14PbX4 has a low electronic dimension (flat band characteristics), which facilitates the formation of intrinsic self-trapped excitons. The potential well formed by local distortion of the [PbX6] octahedron is the origin of exciton self-trapping. Combined with the electronic density of states and partial charge density, we further confirmed the existence of intrinsic self-trapping excitons in 1D-C4N2H14PbX4. In addition, we found that the breaking of the central inversion symmetry will induce electric polarization, which greatly improves the transition probability of electrons. These results could potentially offer a new direction for improving the luminescence properties of 1D organic lead halide perovskites.
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