Fig. 3: Theoretical calculations of multiple defects renovation. | Light: Science & Applications

Fig. 3: Theoretical calculations of multiple defects renovation.

From: Multiple defects renovation and phase reconstruction of reduced-dimensional perovskites via in situ chlorination for efficient deep-blue (454 nm) light-emitting diodes

Fig. 3

a Calculated perovskite combined with p-FCA, along with the corresponding differential charge density distribution. b Electron localization function of p-FCA treated perovskite. c DOS curves of the pristine perovskite, perovskite containing a chloride vacancy and renovated by C=O group. d DOS curves of the pristine perovskite, perovskite containing a lead-chloride defect and renovated by hydroxy group

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