中国物理B ›› 2021, Vol. 30 ›› Issue (3): 38102-.doi: 10.1088/1674-1056/abc545

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  • 收稿日期:2020-07-28 修回日期:2020-09-18 接受日期:2020-10-28 出版日期:2021-02-22 发布日期:2021-02-22

Stability and optoelectronic property of low-dimensional organic tin bromide perovskites

J H Lei(雷军辉)1, Q Tang(汤琼)1, J He(何军)1,†, and M Q Cai(蔡孟秋)2,‡   

  1. 1 School of Science, Hunan University of Technology, Zhuzhou 412007, China; 2 School of Physics and Electronics Science, Hunan University, Changsha 410082, China
  • Received:2020-07-28 Revised:2020-09-18 Accepted:2020-10-28 Online:2021-02-22 Published:2021-02-22
  • Contact: †Corresponding author. E-mail: hejun@hnu.edu.cn ‡Corresponding author. E-mail: mqcai@hnu.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 51972102).

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Abstract: The toxicity and degradation of hybrid lead-halide perovskites hinder their extensive applications. It is thus of great importance to explore non-toxic alternative materials with excellent stability and optoelectronic property. We investigate the atomic structures and optoelectronic properties of non-toxic organic tin bromide perovskites (OTBP) with one/zero-dimensional (1D/0D) structures by first-principles calculations. The calculated atomic structures show that the 1D/0D OTBPs are stable and the structure of inorganic octahedra in 0D is higher order than that in 1D. Moreover, the origination of exceptional purity emitting light in experiments is explained based on the calculated electronic structure.

Key words: one/zero dimensional non-toxic organic tin bromide perovskites, first principle calculation, stability, Optoelectronic property

中图分类号:  (New materials: theory, design, and fabrication)

  • 81.05.Zx
71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 71.20.-b (Electron density of states and band structure of crystalline solids) 51.30.+i (Thermodynamic properties, equations of state)