Abstract
ABSTRACTThe large Stokes shifts of II-VI semiconductor quantum dots favour their application in bioimaging. Using a cluster model, we revealed that ZnSe clusters have large Stokes shifts at small cluster sizes by means of density functional theory calculations. Both the optical absorption and emission wavelengths of the clusters are size-dependent. While some trends were noted for the absorption spectra, the emission wavelength varies in a complicated way, leading to large fluctuations in their Stokes shifts with cluster size. These fluctuations, as well as their variations with solvent, were rationalised in terms of changes in their geometrical and electronic structures from size to size, and from ground- to excited-state.
Published Version
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