Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/85609
Title: A combined single crystal neutron/X-ray diffraction and solid-state nuclear magnetic resonance study of the hybrid perovskites CH3NH3PbX3 (X = I, Br and Cl)
Authors: Baikie, Tom
Barrow, Nathan S.
Mhaisalkar, Subodh Gautam
White, Timothy John
Fang, Yanan
Keenan, Philip J.
Slater, Peter R.
Piltz, Ross O.
Gutmann, Matthias
Keywords: Perovskites
Neutron diffraction
Issue Date: 2015
Source: Baikie, T., Barrow, N. S., Fang, Y., Keenan, P. J., Slater, P. R., Piltz, R. O., et al. (2015). A combined single crystal neutron/X-ray diffraction and solid-state nuclear magnetic resonance study of the hybrid perovskites CH3NH3PbX3 (X = I, Br and Cl). Journal of Materials Chemistry A, 3(17), 9298-9307.
Series/Report no.: Journal of Materials Chemistry A
Abstract: The 1H and 13C NMR spectra in methylammonium lead halide perovskites, CH3NH3PbX3 (X = I, Br and Cl) show that the CH3NH3+ units undergo dynamic reorientation, as the organic component tumbles in the perovskite cage. In addition, the differences in the anomalously long relaxation times of the protons associated with the CH3 and not the NH3 groups indicate that only the amine end of the CH3NH3+ group is interacting with the inorganic network. Using this information, we have refined some single crystal X-ray and neutron diffraction data to probe their unusual structures in more detail. Furthermore, impedance spectroscopy has been used to monitor the high-temperature phase transition of CH3NH3PbI3, which confirms a significant increase in conductivity, when it is in its high temperature and higher symmetry structural regime. The optical band-gaps of each halide perovskite were determined using UV-visible spectroscopy and are consistent with previous reports.
URI: https://hdl.handle.net/10356/85609
http://hdl.handle.net/10220/43741
ISSN: 2050-7488
DOI: 10.1039/C5TA01125F
Rights: © 2015 The Royal Society of Chemistry. This is the author created version of a work that has been peer reviewed and accepted for publication by Journal of Materials Chemistry A, The Royal Society of Chemistry. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [http://dx.doi.org/10.1039/C5TA01125F].
Fulltext Permission: open
Fulltext Availability: With Fulltext
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