Proceedings of Perovskite Thin Film Photovoltaics (ABXPV16)
Publication date: 14th December 2015
Solar cells based on organic-inorganic halide perovskites have recently shown rapidly rising power-conversion efficiencies, but exhibit unusual behaviour such as current-voltage hysteresis and a low-frequency giant dielectric response. Ionic transport has been suggested to be an important factor contributing to these effects, but the chemical origin of this transport and the mobile defect species are unclear. Here, the types of intrinsic point defects and activation energies for ionic migration in methylammonium lead iodide (CH3NH3PbI3) are investigated by computational methods, and are compared with our kinetic data from the current-voltage response of a perovskite-based solar cell (and with other recent transport studies). We identify the key defect transport mechanisms, and find facile vacancy-assisted migration of iodide ions with an activation energy in agreement with the kinetic measurements. The results of this combined computational and experimental study [1] indicate that hybrid halide perovskites are mixed ionic-electronic conductors, a finding which has major implications for solar cell device architectures
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