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

doi:10.1088/1674-1056/abc545

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.

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

Received: 28 July 2020
Revised: 18 September 2020
Accepted manuscript online: 28 October 2020

PACS:	81.05.Zx	(New materials: theory, design, and fabrication)
	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)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 51972102).

Corresponding Authors: ^†Corresponding author. E-mail: hejun@hnu.edu.cn ^‡Corresponding author. E-mail: mqcai@hnu.edu.cn

Cite this article:

J H Lei(雷军辉), Q Tang(汤琼), J He(何军), and M Q Cai(蔡孟秋) Stability and optoelectronic property of low-dimensional organic tin bromide perovskites 2021 Chin. Phys. B 30 038102

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

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