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)

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dc.contributor.authorBaikie, Ten_AU
dc.contributor.authorBarrow, NSen_AU
dc.contributor.authorFang, Yen_AU
dc.contributor.authorKeenan, PJen_AU
dc.contributor.authorSlater, PRen_AU
dc.contributor.authorPiltz, ROen_AU
dc.contributor.authorGutmann, MJen_AU
dc.contributor.authorMhaisalkara, SGen_AU
dc.contributor.authorWhite, TJen_AU
dc.date.accessioned2017-04-24T05:05:32Zen_AU
dc.date.available2017-04-24T05:05:32Zen_AU
dc.date.issued2015-03-31en_AU
dc.date.statistics2017-04-11en_AU
dc.description.abstractThe 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. © Royal Society of Chemistryen_AU
dc.identifier.citationBaikie, T., Barrow, N. S., Fang, Y., Keenan, P. J., Slater, P. R., Piltz, R. O., Gutmann, M., Mhaisalkara, S. G., & White, T. J. (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. doi:10.1039/c5ta01125fen_AU
dc.identifier.govdoc8088en_AU
dc.identifier.issn2050-7488en_AU
dc.identifier.issue17en_AU
dc.identifier.journaltitleJournal of Materials Chemistry Aen_AU
dc.identifier.pagination9298-9307en_AU
dc.identifier.urihttp://dx.doi.org/10.1039/c5ta01125fen_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/8617en_AU
dc.identifier.volume3en_AU
dc.language.isoenen_AU
dc.publisherRoyal Society of Chemistryen_AU
dc.subjectPerovskitesen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectSpectroscopyen_AU
dc.subjectCrystalsen_AU
dc.subjectHalidesen_AU
dc.subjectSymmetryen_AU
dc.titleA combined single crystal neutron/x-ray diffraction and solid-state nuclear magnetic resonance study of the hybrid perovskites CH3NH3PbX3 (X = I, Br and Cl)en_AU
dc.typeJournal Articleen_AU
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