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Structural and Optoelectronic Properties of Two-Dimensional Ruddlesden–Popper Hybrid Perovskite $CsSnBr_{3}$
| Content Provider | MDPI |
|---|---|
| Author | Xiang, Guang Biao Wu, Yanwen Li, Yushuang Cheng, Chen Leng, Jiancai Ma, Hong |
| Copyright Year | 2021 |
| Description | 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, $Cs_{n}_{+1}Sn_{n}Br_{3n+1}$ and $Cs_{n}Sn_{n}_{+1}Br_{3n+2}$, and studied their band structures and band gaps as a function of the number of layers (n = 1–5). The calculation results show that $Cs_{n+}_{1}Sn_{n}Br_{3n+1}$ has a direct bandgap while the bandgap of $Cs_{n}Sn_{n}_{+1}Br_{3n+2}$ 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 $Cs_{n}_{+1}Sn_{n}Br_{3n+1}$ and $Cs_{n}Sn_{n}_{+1}Br_{3n+2}$ decreased from 1.209 to 0.797 eV and 1.310 to 1.013 eV, respectively. In addition, the optical absorption of $Cs_{n}_{+1}Sn_{n}Br_{3n+1}$ and $Cs_{n}Sn_{n}_{+1}Br_{3n+2}$ was blue-shifted as the structure changed from bulk to nanolayer. Compared with that of $Cs_{n+}_{1}Sn_{n}Br_{3n+1}$, the optical absorption of $Cs_{n}Sn_{n}_{+1}Br_{3n+2}$ was sensitive to the layers along the z direction, which exhibited anisotropy induced by the $SnBr_{2}$-terminated surface. |
| Starting Page | 2119 |
| e-ISSN | 20794991 |
| DOI | 10.3390/nano11082119 |
| Journal | Nanomaterials |
| Issue Number | 8 |
| Volume Number | 11 |
| Language | English |
| Publisher | MDPI |
| Publisher Date | 2021-08-20 |
| Access Restriction | Open |
| Subject Keyword | Nanomaterials Inorganic Chemistry 2d Ruddlesden–popper Hybrid Perovskites First-principles Study Band Structures Optoelectronic Properties |
| Content Type | Text |
| Resource Type | Article |
