Optical Properties of Quantum Dots

Quantum Dots are objects that confine electrons in all three dimensions and may be seen as macromolecules. Due to their favourable optical properties, they are, for example, used in biological imaging as fluorescent markers. For these applications, Quantum Dots are usually made from II-IV materials which often include Cadmium. Since the latter is potentially toxic, in vivo studies now often involve biocompatible Silicon Quantum Dots. In this project we study the absorption and emission characteristics of these new materials using time dependent density functional theory. We are interested in the quantum confinement effect and study various functionalizations in order to prevent oxidation and increase solubility.



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Project related publications

Boundary and Symmetry Determined Exciton Distribution in Two Dimensional Silicon Nanosheets
Wu, Q., Wang, X., Niehaus, T. und Zhang, R.
Journal of Physical Chemistry C 118, 20070 (2014)

Excited state properties of Si quantum dots
Zhang, R., De Sarkar, A., Niehaus, T. und Frauenheim, T.
phys. status solidi b 249, 401 (2012)

Atomistic simulations of self-trapped exciton formation in silicon nanostructures: The transition from quantum dots to nanowires
Wang, Y., Zhang, R., Frauenheim, T. und Niehaus, T.
J. Phys. Chem. C 113, 12935 (2009)

Anomalous Size Dependence of the Photoluminescence in reconstructed Silicon Nanoparticles
Wang, X., Zhang, R., Lee, S., Frauenheim, T. und Niehaus, T.
Appl. Phys. Lett. 93, 243120 (2008)