Hybrid inorganic-organic halide perovskite crystals, such as CH3NH3PbI3, have garnered significant attention for their use as the light-absorbing semiconductor layer in low-cost photovoltaic devices with high power conversion efficiencies (&gt;20%). The performance of these materials challenges conventional wisdom in that these materials exhibit excellent electrical performance despite the inexpensive, low-temperature, solution-based preparatory routes that result in imperfect materials with small grain sizes. Therefore, we have focused on establishing a relationship between the dynamics of organic molecules in the crystal structures and the functional electronic properties. Our results - which include in-depth synchrotron X-ray scattering and neutron spectroscopy - provide a platform from which to understand structure-dynamics-property relationships in functional perovskite halides, which have the potential for transformative applications in photovoltaics.

Functional properties from molecular dynamics in hybrid perovskite halides

2019 Fall National Meeting

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