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    The Effects of Vibronic Coupling on the Photophysics of Excitons and Polarons in Ordered and Disordered π-Conjugated Molecular Aggregates

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    Genre
    Thesis/Dissertation
    Date
    2014
    Author
    Pochas, Christopher Michael
    Advisor
    Spano, Francis C.
    Committee member
    Matsika, Spiridoula
    Voelz, Vincent
    Burkhardt, T. W. (Theodore W.), 1940-
    Department
    Chemistry
    Subject
    Chemistry, Physical
    Aggregates
    Organic Electronics
    Photophysics
    Photovolatic
    Solar
    Permanent link to this record
    http://hdl.handle.net/20.500.12613/3414
    
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    DOI
    http://dx.doi.org/10.34944/dspace/3396
    Abstract
    A theoretical model describing photophysics of π-conjugated aggregates, such as molecular crystals and polymer thin films, is developed. A Holstein-like Hamiltonian expressed with a multi-particle basis set is used to evaluate absorption and photoluminescence (PL) spectra of neutral excitons as well as charge modulation spectra (CMS) and transient absorption spectra (TAS) of positively charges hole-type polarons. The results are used to develop a better theoretical understanding of the organic electronics being studied and their photophysics, and also to probe the morphology of poly(3-hexylthiophene) (P3HT) thin films, which are used in photovoltaic devices.
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