Employing halogen-halogen interaction to construct high-temperature hybrid perovskite phase transition materials |
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| Affiliation: | 1. Institute of Crystalline Materials, Shanxi University, Taiyuan 030006, China;2. State Key Laboratory of Quantum Optics and Quantum Optics Devices, Shanxi University, Taiyuan 030006, China;1. College of Chemistry, Fuzhou University, Fuzhou 350108, China;2. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China;1. Institute for Science and Applications of Molecular Ferroelectrics, Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, Zhejiang Normal University, Jinhua 321004, China;2. Ordered Matter Science Research Center, Jiangsu Key Laboratory for Science and Applications of Molecular Ferroelectrics, Southeast University, Nanjing 211189, China;3. School of Environment and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang 212002, China |
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| Abstract: | Organic-inorganic hybrid perovskites (OIHPs) materials with high phase transition temperature (Tp) have been widely studied in the field of molecular switches, solar energy and electric power. At present, the OIHPs with high Tp are generally constructed through molecular design, which can be applied to a wide temperature range. Here, three one-dimensional (1D) OIHPs [R-ClEQ]PbCl3 (Tp = 442 K), [R-ClEQ]PbBr3 (Tp= 499 K) and [R-ClEQ]PbI3 (Tp above m.p.) (R-ClEQ = (R)-N-chloroethyl-3-quinuclidinol) with different Tp 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 Tp. |
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