Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: 
Insights into Structure, Conductivity Behavior, and Optical Properties

Lermer, C.; Senocrate, A.; Moudrakovski, I.; Seewald, T.; Hatz, A.-K.; Mayer, P.; Pielnhofer, F.; Jaser, J. A.; Schmidt-Mende, L.; Maier, J.; Lotsch, B. V.

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Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties

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Maier, J.
Department Physical Chemistry of Solids (Joachim Maier), Max Planck Institute for Solid State Research, Max Planck Society;

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Lotsch, B. V.
Department Nanochemistry (Bettina V. Lotsch), Max Planck Institute for Solid State Research, Max Planck Society;

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Lermer, C., Senocrate, A., Moudrakovski, I., Seewald, T., Hatz, A.-K., Mayer, P., et al. (2018). Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties. Chemistry of Materials, 30(18), 6289-6297.

Cite as: https://hdl.handle.net/21.11116/0000-000E-D99E-C

Abstract

Hybrid perovskites have evolved into an exciting materials platform supporting a wide variety of optoelectronic applications including solar cells and light-emitting devices. In spite of their rapid deployment in devices, a detailed understanding of their structure-property relationships is scarce. In this study, we comprehensively analyze the crystal and electronic structures as well as thermal, optical, and electronic properties of a series of 2-(aminomethylpyridinium) lead halides including the isotypic hybrid perovskites (C6H10N2)PbX4 (X = Cl, Br, and I) and the hybrid compound (C6H10N2)(6)IPb5I21 center dot 3H(2)O. The thermal transformation of (C6H10N2)(6)IPb5I21 center dot 3H(2)O into (C6H10N2)PbI4 was studied by thermal analysis and powder X-ray diffraction and used to reverse engineer a synthesis route for phase-pure (C6H10N2)-PbI4. The very broad PL emission of (C6H10N2)(6)IPb5I21 center dot 3H(2)O is traced back to the largest octahedral distortion found in this compound among all studied 2-(aminomethylpyridinium) lead halides. We further find that (C6H10N2)PbI4 and (C6H10N2)(6)IPb5I21 center dot 3H(2)O are mixed ionic-electronic conductors and identify the diffusing ionic species as iodine and protons, respectively, by combining solid-state NMR measurements with a.c. impedance spectroscopy and d.c. galvanostatic polarization measurements.