Structural and Optoelectronic Properties of Two-Dimensional Ruddlesden-Popper Hybrid Perovskite CsSnBr3

被引：8

作者：

Xiang, Guangbiao ^{[1
]}

Wu, Yanwen ^{[1
]}

Li, Yushuang ^{[1
]}

Cheng, Chen ^{[1
]}

Leng, Jiancai ^{[2
]}

Ma, Hong ^{[1
]}

机构：

[1] Shandong Normal Univ, Sch Phys & Elect, Photon Device & Collaborat Innovat Ctr Light Mani, Shandong Prov Key Lab Opt, Jinan 250014, Peoples R China

[2] Qilu Univ Technol, Shandong Acad Sci, Sch Elect & Informat Engn, Dept Phys, Jinan 250353, Peoples R China

来源：

NANOMATERIALS | 2021年 / 11卷 / 08期

基金：

中国国家自然科学基金;

关键词：

2D Ruddlesden-Popper hybrid perovskites; first-principles study; band structures; optoelectronic properties; LIGHT-EMITTING-DIODES; ELECTRONIC-PROPERTIES; HALIDE PEROVSKITES; 1ST-PRINCIPLES CALCULATIONS; SURFACE RELAXATION; SOLAR-CELLS; AB-INITIO; EFFICIENCY; TRANSPORT; MOBILITY;

D O I：

10.3390/nano11082119

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Ultrathin inorganic halogenated perovskites have attracted attention owing to their excellent photoelectric properties. In this work, we designed two types of Ruddlesden-Popper hybrid perovskites, Csn+1SnnBr3n+1 and CsnSnn+1Br3n+2, and studied their band structures and band gaps as a function of the number of layers (n = 1-5). The calculation results show that Csn+1SnnBr3n+1 has a direct bandgap while the bandgap of CsnSnn+1Br3n+2 can be altered from indirect to direct, induced by the 5p-Sn state. As the layers increased from 1 to 5, the bandgap energies of Csn+1SnnBr3n+1 and CsnSnn+1Br3n+2 decreased from 1.209 to 0.797 eV and 1.310 to 1.013 eV, respectively. In addition, the optical absorption of Csn+1SnnBr3n+1 and CsnSnn+1Br3n+2 was blue-shifted as the structure changed from bulk to nanolayer. Compared with that of Csn+1SnnBr3n+1, the optical absorption of CsnSnn+1Br3n+2 was sensitive to the layers along the z direction, which exhibited anisotropy induced by the SnBr2-terminated surface.

引用

页数：12

共 59 条

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