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2D Sn Perovskite
Published In

Journal of the American Chemical Society

Authors

Wang, S.; Mandal, M.; Zhang, H.; Breiby, D. W.; Yildiz, O.; Ling, Z.; Floudas, G.; Bonn, M.; Andrienko, D.; Wang, H.; Blom, P. W. M.; Pisula, W.; Marszalek, T.

Citation

Wang, S.; Mandal, M.; Zhang, H.; Breiby, D. W.; Yildiz, O.; Ling, Z.; Floudas, G.; Bonn, M.; Andrienko, D.; Wang, H.; Blom, P. W. M.; Pisula, W.; Marszalek, T. Odd-Even Alkyl Chain Effects on the Structure and Charge Carrier Transport of Two-Dimensional Sn-based Perovskite Semiconductors J. Am. Chem. Soc. 2024.

Express Summary
  • Odd vs. even alkyl chain effect on the structure and charge transport properties of 2D Sn-based perovskites is explored.
  • Odd carbon chains result in disordered crystal lattices and larger electron/hole effective mass, leading to lower mobilities.
  • Even carbon chains leads to planar, ordered [SnI6]-octahedra layers, and hence improved mobilities.
Abstract

Oscillations in the chemical or physical properties of materials, composed of an odd or even number of connected repeating methylene units, are a well-known phenomenon in organic chemistry and materials science. So far, such behavior has not been reported for the important class of materials, perovskite semiconductors. This work reports a distinct odd–even oscillation of the molecular structure and charge carrier transport properties of phenylalkylammonium two-dimensional (2D) Sn-based perovskites in which the alkyl chains in the phenylalkylammonium cations contain varying odd and even carbon numbers. Density functional theory calculations and grazing-incidence wide-angle X-ray scattering characterization reveal that perovskites with organic ligands containing an alkyl chain with an odd number of carbon atoms display a disordered crystal lattice and tilted inorganic octahedra accompanied by reduced mobilities. In contrast, perovskites with cations of an even number of carbon atoms in the alkyl chain form more ordered crystal structures, resulting in improved charge carrier mobilities. Our findings disclose the importance of minor changes in the molecular conformation of organic cations have an effect on morphology, photophysical properties, and charge carrier transport of 2D layered perovskites, showcasing alkyl chain engineering of organic cations to control key properties, of layered perovskite semiconductors.

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