Citation: Simin Liu, Lei He, Yuzhen Wang, Pingping Shi, Qiong Ye. Tunable phase transition, band gap and SHG properties by halogen replacement of hybrid perovskites [(thiomorpholinium)PbX₃, X = Cl, Br, I][J]. Chinese Chemical Letters, ;2022, 33(2): 1032-1036. doi: 10.1016/j.cclet.2021.07.039 shu

Tunable phase transition, band gap and SHG properties by halogen replacement of hybrid perovskites [(thiomorpholinium)PbX₃, X = Cl, Br, I]

Jiangsu Key Laboratory for Science and Applications of Molecular Ferroelectrics and School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, China

ppshi@seu.edu.cn

yeqiong@seu.edu.cn

Received Date: 2 July 2021
Accepted Date: 15 July 2021
Available Online: 22 July 2021

Figures(8)

By the replacement of halogen anion, three new multifunctional organic-inorganic hybrid perovskites (thiomorpholinium)PbX₃ (X = Cl, Br, I) were successfully synthesized and underwent reversible structural transformation above room temperature, accompanied by the anomalous change of dielectric constant. With the adjustment of the halogen anion from Cl to I in the inorganic skeleton, the space group is transformed from centrosymmetric space group P2₁/c ((thiomorpholinium)PbCl₃) to chiral one P2₁2₁2₁ ((thiomorpholinium)PbBr₃, (thiomorpholinium)PbI₃) at room temperature. The ordered-disordered transition of organic cations and the change of hydrogen bonds with the increase of temperature lead to above-room-temperature phase transitions. Ultraviolet absorption and second-harmonic generation (SHG) measurements confirmed that both the band gap and SHG activity of (thiomorpholinium)PbX₃ (X = Cl, Br, I) crystals were tunable. The band gaps reveal a broadening trend with 3.532 eV, 3.410 eV and 3.175 eV along the Cl → Br → I series. This work provides an effective molecular design for multifunctional organic-inorganic perovskites.
- Phase transition,
- Band gap,
- Nonlinear optical,
- Organic-inorganic hybrid perovskite,
- Halogen replacement
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Tunable phase transition, band gap and SHG properties by halogen replacement of hybrid perovskites [(thiomorpholinium)PbX3, X = Cl, Br, I]

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通讯作者: 陈斌, bchen63@163.com

Tunable phase transition, band gap and SHG properties by halogen replacement of hybrid perovskites [(thiomorpholinium)PbX₃, X = Cl, Br, I]