Dynamics of NH3(CH2)2NH3 cation in perovskite layer crystal NH3(CH2)2NH3CuCl4 by M. (May 2020)

• Record Type: Journal Article
• Authors: Lim, Ae Ran
• Is Part Of: Solid state communications. Volume 312(2020)
• Publication Date: 2020-05
• Subjects: Crystal growth -- NH3(CH2)2NH3CuCl4 -- Nuclear magnetic resonance -- Organic–inorganic hybrid compound; Solid state chemistry -- Periodicals; Solid state physics -- Periodicals; Chimie de l'état solide -- Périodiques; Physique de l'état solide -- Périodiques; 530.41
• DOI: 10.1016/j.ssc.2020.113862
• Languages: English
• ISSNs: 0038-1098

Abstract

Abstract: We replaced Pb with nontoxic Cu metal for lead-free perovskite solar cells and investigated their potential for solar cell applications. The ionic dynamics of the NH3 (CH2 )2 NH3 CuCl4 crystal are investigated as a function of temperature, with a focus on the role of the NH3 (CH2 )2 NH3 + cation. This investigation was conducted by 1 H and 13 C MAS NMR experiments. The contributions to the NMR chemical shifts are correlated to the distribution of the spin density in the ligand moiety. The 1 H NMR chemical shift for NH3 changes more significantly with the temperature than that for CH2 . This change in the cationic motion is enhanced at the N-end of the organic cation, which is fixed at the inorganic layer by N–H⋯Cl hydrogen bonds. In addition, the molecular motions are discussed in terms of the spin-lattice relaxation time, which reveal that the CH2 ion located in the middle of the N–C–C–N bond undergoes tumbling motion according to the Bloembergen–Purcell–Pound theory. Highlights: Lead-free perovskite solar cells. The ionic dynamics of the NH3 (CH2 )2 NH3 CuCl4 . Molecular dynamics by nuclear magnetic resonance.