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. 2017 Aug 11;3(8):e1701217. doi: 10.1126/sciadv.1701217

Fig. 5. Estimation of polaron size from first principle.

Fig. 5

(A) Distribution of Pb-Br distances (Å; top) of the positive polaron state for a pseudocubic 2 × 2 × 8 CsPbBr3 model made by 32 formula units. (B) Distribution of the excess positive charge (red isosurface) following the pattern of Pb-Br distances. The figure has been centered at the maximum of hole localization.