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Anharmonicity and Octahedral Tilting in Hybrid Vacancy-Ordered Double Perovskites

The advantageous performance of hybrid organic–inorganic perovskite halide semiconductors in optoelectronic applications motivates studies of their fundamental crystal chemistry. In particular, recent studies have sought to understand how dipolar, dynamic, and organic cations such as methylammonium (CH3NH3+) and formamidinium (CH(NH2)2+) affect physical properties such as light absorption and charge transport. To probe the influence of organic–inorganic coupling on charge transport, we prepared the series of vacancy-ordered double perovskite derivatives A2SnI6, where A = Cs+, CH3NH3+, and CH(NH2)2+. Despite nearly identical cubic structures by powder X-ray diffraction, replacement of Cs+ with CH3NH3+ or CH(NH2)2+ reduces conductivity through a reduction in both carrier concentration and carrier mobility. We attribute the trends in electronic behavior to anharmonic lattice dynamics from the formation of hydrogen bonds that yield coupled organic–inorganic dynamics. This anharmonicity manifests as asymmetry ...

Authors:   Annalise E. Maughan; Alex M. Ganose; Andrew M. Candia; Juliette T. Granger; David O. Scanlon; James R. Neilson
Journal:   Chemistry of Materials
Year:   2017
DOI:   10.1021/acs.chemmater.7b04516
Publication date:   23-Dec-2017
Facts, background information, dossiers
  • reductions
  • perovskites
  • light
More about American Chemical Society Publications
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