Electronic Structure and Excited State Dynamics of Pristine and Functionalized Nanodiamonds, Diamondoid Aggregates and Hybrids

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Diamondoids can be considered as ideal, surface passivated diamond clusters. They are versatile materials because they can be functionalised by chemical as well as physical means and then self-assembled on surfaces. We propose to study changes in the electronic structure and optical properties of pristine and doped diamondoids to control and exploit their luminescence properties in close cooperation with theory groups. A key aspect is the relationship between functional groups, and doping sites on one side, and wavelength and quantum efficiency of fluorescence light on the other side. Further, we plan to prepare diamondoid-metal cluster hybrids and to investigate the electronic response and coupling between the metals and the diamondoids. Functionalised hybrids are expected to be promising candidates for photonic materials such as bright, nanoscale light emitters.