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arxiv 2202.10983 v1 pith:6AV53PQZ submitted 2022-02-22 cs.CV cond-mat.soft

Tracking perovskite crystallization via deep learning-based feature detection on 2D X-ray scattering data

classification cs.CV cond-mat.soft
keywords dataperovskitecrystallizationtrackingautomateddeepdetectiondiffraction
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Understanding the processes of perovskite crystallization is essential for improving the properties of organic solar cells. In situ real-time grazing-incidence X-ray diffraction (GIXD) is a key technique for this task, but it produces large amounts of data, frequently exceeding the capabilities of traditional data processing methods. We propose an automated pipeline for the analysis of GIXD images, based on the Faster R-CNN deep learning architecture for object detection, modified to conform to the specifics of the scattering data. The model exhibits high accuracy in detecting diffraction features on noisy patterns with various experimental artifacts. We demonstrate our method on real-time tracking of organic-inorganic perovskite structure crystallization and test it on two applications: 1. the automated phase identification and unit-cell determination of two coexisting phases of Ruddlesden-Popper 2D perovskites, and 2. the fast tracking of MAPbI$_3$ perovskite formation. By design, our approach is equally suitable for other crystalline thin-film materials.

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