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Issue 54, 2017
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Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study

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Abstract

We investigate the variable temperature (100–450 K) and high-pressure (p = ambient − 0.74 GPa) crystal chemistry of the black perovskite formamidinium lead iodide, [(NH2)2CH]PbI3, using single crystal X-ray diffraction. In both cases we find a phase transition to a tetragonal phase. Our experimental results are combined with first principles calculations, providing information about the electronic properties of [(NH2)2CH]PbI3 as well as the most probable orientation of the [(NH2)2CH]+ cations.

Graphical abstract: Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study

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Article information


Submitted
08 Feb 2017
Accepted
11 Jun 2017
First published
14 Jun 2017

Chem. Commun., 2017,53, 7537-7540
Article type
Communication

Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study

S. Sun, Z. Deng, Y. Wu, F. Wei, F. Halis Isikgor, F. Brivio, M. W. Gaultois, J. Ouyang, P. D. Bristowe, A. K. Cheetham and G. Kieslich, Chem. Commun., 2017, 53, 7537
DOI: 10.1039/C7CC00995J

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