Thermal property, structural characterization, and physical property of cation and anion in organic-inorganic perovskite [(CH2)3(NH3)2] CdCl4 crystal

Structural characteristics and molecular dynamics of the [(CH2)(3)(NH3)(2)] cation and CdCl6 anion in organic-inorganic perovskite [(CH2)(3)(NH3)2(])CdCl(4) near the phase transition temperature (T-C) were studied by magic angle spinning (MM) H-1 nuclear magnetic resonance (NMR), MAS C-13 NMR, and static Cd-113 NMR experiments at different temperatures. The chemical shifts of H-1 for CH2 and NH3 were nearly constant without anomalous change, whereas the C-13 and Cd-113 chemical shifts were changed with increasing temperature. These observations imply that the chemical environments of H-1 do not change with temperature, while those of 13C and 113Cd were changed. In addition, from the spin-lattice relaxation times in the rotating frame (T-1 rho) for C-13 in the middle of the N-C-C-C-N bond, and the spin-lattice relaxation times in the laboratory frame (T-1) for Cd-113 in octahedron CdCl6, the molecular motions of these atoms below and above Tc were discussed. The main effect causing the phase transition is a change in the environments of the Cd-113 nuclei in the CdCl6 octahedra and in the environments of N-C-C-C-N groups in the [(CH2)(3)(NH3)(2)] cations. The study of the molecular dynamics was conducted to improve the relatively weak stability compared to the high efficiency of perovskite solar cells.