Reactivity of fullerenes, endohedral metallofullerenes, and nanotubes, and their possible application in solar energy conversion

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The physical and chemical properties of fullerenes and nanotubes can be conveniently tuned by the attachment of different functional groups to them. Therefore, the systematic understanding of different problems such as chemical reactivity, catalysis, and even charge transfer can be achieved. In the current thesis, these challenges are faced transcending in interesting outcomes. That is to say, the covalent junction between chemical species and carbon nanostructures are explained in detail, thus providing a characterization of the experimentally observed products. In a second part of the thesis, the role of fullerene C60 in chemical reactions catalyzed by transition metals is elucidated. Finally, the potential applications of derivatives of fullerene C60 in the design of solar cells are illustrated. The thesis is widely supported by quantum chemistry methodology and conclusions were corroborated through experimental evidence ​
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