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A size-series study of CdSe/ZnS core-shell semiconductor nanocrystals, combining optical, structural and compositional characterization. Journal of Physical Chemistry B 101, 9463–9475.

An exciton is a correlated electron–hole pair with a full wavefunction $\Psi ({\mathbf{r}}_e,{\mathbf{r}}_h)$. In strong confinement, a useful leading approximation is a product of lowest electron and hole envelope functions, followed by a Coulomb correction. A spherical hard-wall ground envelope is nodeless, proportional to $\sin (\pi r/R)/r$, and finite at the origin. Finite barriers produce exterior tails.

For a core-shell semiconductor nanocrystal with type-I band alignment, both conduction- and valence-band offsets confine the carriers mainly to the core. Their envelopes penetrate the shell but overlap less with external traps. Chemical surface passivation and spatial separation from defects can suppress nonradiative losses and increase photoluminescence quantum yield. Shell thickness, interfacial quality and strain must be controlled; a defective shell can introduce losses.

A larger shell band gap alone does not guarantee type-I alignment. A staggered type-II band alignment can move one carrier toward the shell, reduce electron–hole overlap and alter lifetime and emission energy. The sketch illustrates the conditional type-I case. In CdSe/ZnS experiments, optical spectra were combined with structural and compositional measurements to test shell-growth interpretations.^[ref]