Abstract
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 indicated by differential scanning calorimetry and differential thermal analysis. The structural environments of the atoms were analyzed by 1H and 13C NMR. On increasing the temperature, the spin-lattice relaxation time, T1ρ, decreased rapidly due to large energy transfer at high temperatures, as indicated by large thermal displacements of the 1H and 13C atoms of the cation. Additionally, the activation energy, Ea, at high and low temperatures was found to be 49.23 and 1.44 kJ/mol, respectively, for the molecular motion of 1H, and 37.93 and 2.13 kJ/mol, respectively, for that of 13C. Analyzing the physiochemical properties of [NH3(CH2)2NH3]ZnBr4 could facilitate its application in stable and environment-friendly solar cells.
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