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TU Berlin

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

Lupe

The project focuses on the electronic structure and excited state dynamics of diamondoids, a class of perfectly surface passivated carbon nanoparticles. One central goal is the experimental study of functionalized or surface substituted diamondoids and diamondoid derivatives. Such modifications make it possible to tailor their optical and electronic properties. We aim to investigate the luminescence and electronic properties of three types of systems, namely (i) pristine, doped or surface substituted diamondoids, (ii) diamondoid aggregates with sp2 impurities (C=C, aromatic subunits) and (iii) diamondoid-metal-cluster hybrids. We plan to tune the properties of functionalized diamondoids in various ways, which furthers the understanding of how they can be
incorporated in practical applications as well as how they behave in the formation of hybrids. A second aspect focuses on fluorescence and non-radiative processes, such as electronic-tovibrational energy transfer and the relationship with functionalization or substitution. The third aspect is the investigations of diamondoid-metal hybrids, their bonding and electronic structure. A key interest is obtaining an understanding of the interaction and electronic coupling in small systems, where every atom counts, to larger ones, where additional coupling that may lead to fluorescence enhancement or quenching comes into play. Absorption, time- and energy-resolved fluorescence, as well as photoelectron spectroscopy will be used to address these questions. The work will be performed in close collaboration with synthesis and theory groups.

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