Citation: Dongying Fu, Zuoming Hou, Zhuo Chen, Yueyue He, Xian-Ming Zhang. Employing halogen-halogen interaction to construct high-temperature hybrid perovskite phase transition materials[J]. Chinese Chemical Letters, ;2023, 34(6): 107676. doi: 10.1016/j.cclet.2022.07.019 shu

Employing halogen-halogen interaction to construct high-temperature hybrid perovskite phase transition materials

Dongying Fu ^{a, b, *,} ,
Zuoming Hou ^a ,
Zhuo Chen ^a ,
Yueyue He ^a ,
Xian-Ming Zhang ^a

a.
Institute of Crystalline Materials, Shanxi University, Taiyuan 030006, China
b.
State Key Laboratory of Quantum Optics and Quantum Optics Devices, Shanxi University, Taiyuan 030006, China

dyfu@sxu.edu.cn

Received Date: 30 May 2022
Revised Date: 8 June 2022
Accepted Date: 12 July 2022
Available Online: 14 July 2022

Figures(6)

Organic-inorganic hybrid perovskites (OIHPs) materials with high phase transition temperature (T_p) have been widely studied in the field of molecular switches, solar energy and electric power. At present, the OIHPs with high T_p are generally constructed through molecular design, which can be applied to a wide temperature range. Here, three one-dimensional (1D) OIHPs [R-ClEQ]PbCl₃ (T_p = 442 K), [R-ClEQ]PbBr₃ (T_p= 499 K) and [R-ClEQ]PbI₃ (T_p above m.p.) (R-ClEQ = (R)-N-chloroethyl-3-quinuclidinol) with different T_p are obtained by regulating the halogen-halogen interaction and hydrogen bonding in the system. Especially in [R-ClEQ]PbX₃ (X = Cl, Br and I) crystal system, all the halogen bonds tend to form at approximately 180°angles and the strength of halogen bonding is found to be increased from 1.59 × 10^–3 Hartree to 2.35 × 10^–3 Hartree with increased atom number from Cl to I. The synergistic effect of halogen bonding and hydrogen bonding provide a useful strategy for the design OIHPs phase transition materials with high T_p.
- Halogen-halogen interaction,
- Phase transition,
- Hybrid perovskite,
- Molecular designing
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