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Singlet Exciton Fission for Solar Cell Applications: Energy Aspects of Interchromophore Coupling

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    0352039 - ÚOCHB 2011 RIV US eng J - Journal Article
    Greyson, E. C. - Stepp, Brian R. - Chen, X. - Schwerin, A. F. - Paci, I. - Smith, M. B. - Akdag, A. - Johnson, J. C. - Nozik, A. J. - Michl, Josef - Ratner, M. A.
    Singlet Exciton Fission for Solar Cell Applications: Energy Aspects of Interchromophore Coupling.
    Journal of Physical Chemistry B. Roč. 114, č. 45 (2010), s. 14223-14232. ISSN 1520-6106. E-ISSN 1520-5207
    R&D Projects: GA MŠMT ME09114
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : photophysics * singlet fission * DFT
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 3.603, year: 2010

    We use density functional theory to compute the electron transfer matrix element and the thermodynamics of fission for several promising chromophore pairs and find a trade-off between the desire to maximize this element and the desire to keep the singlet fission process exoergic. We identify promising molecular systems for singlet fission and suggest future experiments.
    Permanent Link: http://hdl.handle.net/11104/0006182

     
     
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