Simulation Study on Geometric and Electronic Structure of Photovoltaic Molecules

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<jats:title>Abstract</jats:title><jats:p>We investigate the geometric and electronic structure of porphyrin-fullerene based supramolecular system in which have an extremely long-lived charge-separated state have been achieved, using first principle calculations. The results suggest that the LUMO state of this supramolecule is localized on the fullerene and HOMO state is localized on the porphyrin moiety.</jats:p>

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  • MRS Proceedings

    MRS Proceedings 725 2002-01-01

    Springer Science and Business Media LLC

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