Vibrational and Electronic Properties of Functionalized Diamondoids

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In a combined experimental and theoretical project we are planning to investigate the structural, optical, and vibrational properties of doped diamondoids, Si clusters, and grapheme by resonance Raman scattering and density functional theory (DFT) calculations. The following questions will be addressed: In diamondoids we are planning to study the effects of functionalization on the structural and optical properties. We intend to identify the geometric and electronic structure and the optical properties of metal-doped Si clusters in the gas phase and/or when deposited onto a substrate. In doped graphene, we will exploit the particularly high sensitivity of Raman scattering to changes in the electronic band structure near the Fermi level in order to study charge transfer from metal clusters to the carbon system. Our goal is to obtain a coherent picture of the nanostructure properties and to understand how they can be modified in a defined way. Our work will be done in close collaboration with the groups performing fluorescence and X-ray absorption experiments and density functional theory.