Fig. 4.

Radial probability densities of ground state electrons and holes for four different InS core diameters (R = 1.1, 1.6, 2.2, and 2.7 nm), with the total nanocrystal radius fixed at 3.3 nm (corresponding to shell thicknesses (H) of 2.2, 1.6, 1.1, and 0.6 nm, respectively). The radial electron density is mainly localized in the shell region, although significant tails extend into the core. As the core diameter increases, the electron density shifts further away from the nanocrystal center. In contrast, the hole state remains predominantly localized in the core region. Different background colors are used to highlight variations in core/shell dimensions. Dashed lines are included for visual guidance only.