Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor’s Stoichiometryстатья

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[1] Crystal structure of dmf-intermediate phases uncovers the link between ch3nh3pbi3 morphology and precursor’s stoichiometry / A. A. Petrov, I. P. Sokolova, N. A. Belich et al. // Journal of Physical Chemistry C. — 2017. We found for the first time a new origin of selection of perovskite crystallization pathways from DMF solutions containing MAI and PbI2 to present here a comprehensive study of a full set of essential intermediate phases determining the perovskite’s morphology. For all the three discovered structurally different intermediate phases forming at a given precursor’s ratio, we refined their crystal structures by synchrotron X-ray radiation and investigated dynamics and phase assemblage in the course of decomposition. As a result, we revealed a clear correlation between the composition of the intermediate phases, peculiarities of their crystal structure and the morphology of the final perovskite films. Using the DFT method we calculated formation enthalpies of these intermediate phases and explained the preferential precipitation of DMSO adduct rather than DMF-adduct in antisolvent approach. This finding opens up a possibility of design-on-demand of perovskite materials using simple soft chemistry approaches. [ DOI ]

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