Crystal structure features of CH3NH3PbI3-xBrx hybrid perovskites prepared by ball milling: a route to more stable materials
The optoelectronic properties of hybrid organic-inorganic perovskites are suitable for efficient photovoltaic devices. For MAPbI3 (MA: CH3NH3) an adequate direct bandgap of ~1.6 eV permits a broad light absorption range. However, the sensitivity to humidity is a serious drawback. Here we found that MAPbI3-xBrx (x= 0.0, 1.0), prepared by ball milling, exhibit a much superior stability, showing no signs of degradation after several months exposed to humid air. Preliminary SXRD data unveiled some peculiar structural features that may account for the improved stability. Whereas MAPbI3 prepared from solution chemistry is defined in I4/mcm s.g., our material from mechanosynthesis crystallizes in the acentric I4cm s.g. with an off-centering ferro-electric component along the c-axis, and distinct tilting angles. The orientation of the organic MA units may play an important role in the properties, given the degrees of freedom for internal motion of MA groups within the PbX6 network. Here we aim at finding the structural reasons for the superior chemical stability; among other, we expect from difference Fourier synthesis to determine the orientation of MA+ units and its T evolution.
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ALONSO Jose Antonio; ABIA SANZ Carmen; FERNANDEZ DIAZ Maria Teresa and C. A. López. (2020). Crystal structure features of CH3NH3PbI3-xBrx hybrid perovskites prepared by ball milling: a route to more stable materials. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-21-1131
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