Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study
Chemical communications, 2017•pubs.rsc.org
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.
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.
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.
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