Perovskite halides: What are the defect and ion migration properties?
Philip Walsh Atkins a, Christopher Eames  a, M. Saiful Islam a
a University of Bath, Bath BA2 7AY, United Kingdom, United Kingdom
nanoGe Perovskite Conferences
Proceedings of Perovskite Thin Film Photovoltaics (ABXPV16)
Barcelona, Spain, 2016 March 3rd - 4th
Organizers: Emilio Palomares and Nam-Gyu Park
Poster, Philip Walsh Atkins, 058
Publication date: 14th December 2015

Hybrid perovskite photovoltaics based on CH3NH3PbI3 are showing rapidly increasing efficiencies and their related inorganic analogues, the caesium halide perovskites, are also viable for use in solar cells. Both CsPbI3 and CsPbBr3 materials have been synthesised and promising efficiencies have been reported and mixed halides such as CsPbI2Br have shown increased stability. The defect chemistry of CH3NH3PbI3 has been shown to have significant effects on its performance with the ion transport mechanisms examined in some detail [1]. However, the defect chemistry of the inorganic halides has been less widely studied. In this investigation, the intrinsic defects and ion migration pathways within the structures of CsMX3 (where M = Sn, Pb and X = I, Br), CH3NH3PbI3 and selected mixed halides have been examined using computational methods.

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