FOR 1282: Controlling the Electronic Structure of Semiconductor Nanoparticles by Doping and Hybrid Formation

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This joint Research Unit intends a comprehensive investigation of the electronic structure of modified or functionalised semiconductor nanoparticles, with the particular goal of controlling their electronic and optical properties by doping and hybrid formation. These studies aim for a detailed understanding of cluster modification with the ultimate goal of identifying building blocks for novel materials with unique optical and electronic properties. The experimental programme covers gas-phase studies on size-selected particles as well as deposited cluster nanostructures, with the focus on the important class of group IV elements carbon and silicon. Cage-like structures such as endohedrally-doped fullerenes, nanodiamonds, graphene structures, and transition metal doped and modified silicon clusters will be characterised by IR, optical, UV and X-ray spectroscopy as well as microscopy. Theoretical tools, such as time-dependant density functional theory and efficient sampling techniques will further be used to establish an understanding of stable adsorbate/dopant combinations and the description of coupled electron nuclear dynamics.