Investigating on crystal structure, thermodynamic, and molecular dynamic of lead-free organic-inorganic hybrid [NH3(CH2)2NH3]ZnBr4 crystals
作者:Ae Ran Lim、Hara Jeon
DOI:10.1016/j.ssc.2023.115149
日期:2023.5
In this study, lead-free organic-inorganic hybrid [NH3(CH2)2NH3]ZnBr4 crystals were grown by slow evaporation and analyzed. The crystals showed orthorhombic structure with the P212121 space group, and the following lattice constants: a = 8.3818 (2) Å, b = 10.8880 (4) Å, c = 11.8175 (4) Å, and Z = 4. The crystals were stable up to 584 K, with two phase transitions at 468 K (TC1) and 503 K (TC2), as
在这项研究中,无铅有机-无机杂化 [NH 3 (CH 2 ) 2 NH 3 ]ZnBr 4晶体通过缓慢蒸发生长并进行了分析。晶体呈正交结构,空间群为P 2 1 2 1 2 1,晶格常数如下:a = 8.3818 (2) Å, b = 10.8880 (4) Å, c = 11.8175 (4) Å, Z = 4. 晶体稳定到 584 K,在 468 K (T C1 ) 和 503 K (T C2), 如差示扫描量热法和差热分析所示。通过1 H和13 C NMR分析原子的结构环境。随着温度的升高,自旋晶格弛豫时间 T 1ρ由于高温下的大能量转移而迅速下降,如阳离子的1 H 和13 C 原子的大热位移所示。此外,发现1 H 的分子运动在高温和低温下的活化能 E a分别为 49.23 和 1.44 kJ/mol,而13的分子运动分别为 37.93 和 2.13 kJ/molC. 分析[NH