Extended Data Fig. 6: Electronic structure calculations at the level of Density functional theory with the HSE06 functional. | Nature Materials

Extended Data Fig. 6: Electronic structure calculations at the level of Density functional theory with the HSE06 functional.

From: Surfactant-induced hole concentration enhancement for highly efficient perovskite light-emitting diodes

Extended Data Fig. 6: Electronic structure calculations at the level of Density functional theory with the HSE06 functional.The alternative text for this image may have been generated using AI.

a, Configuration A: Illustration of model structure with four adsorbed BABr additives b, Configuration B: Illustration of model structure with one adsorbed BABr additive. DOS (density of states) of c, d (layers 1-14, corresponding to the bulk) and e, f (layers 15-17, corresponding to the surface) calculated for configuration A (c,e) and configuration B (d,f).

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