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Discrete dissociation model of photogenerated inter-chain charge transfer states in external electric field

  1. 1.
    0490818 - ÚMCH 2019 RIV SK eng J - Článek v odborném periodiku
    Jex, M. - Menšík, Miroslav - Toman, Petr - Pfleger, Jiří
    Discrete dissociation model of photogenerated inter-chain charge transfer states in external electric field.
    Chemical Papers. Roč. 72, č. 7 (2018), s. 1707-1718. ISSN 0366-6352
    Grant CEP: GA MŠMT(CZ) LTC17029; GA ČR(CZ) GA15-05095S; GA ČR(CZ) GA17-03984S
    GRANT EU: European Commission(XE) MPNS COST Action MP1406
    Institucionální podpora: RVO:61389013
    Klíčová slova: pi-conjugated polymers * charge carrier photogeneration * photoconductivity
    Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
    Impakt faktor: 1.246, rok: 2018

    A new theoretical model of photogeneration yield of free charge carriers on the electric field in π-conjugated polymers was introduced. It generalizes the model of Arkhipov et al. (Chem Phys Lett 372:886–892, 2003a) where the dissociation of the inter-chain charge transfer states is controlled by a thermally activated transition from the lowest quantum state over a potential barrier. Contrary to the previous model based on the effective mass approximation, the new model determines the potential and transfer integrals between HOMO orbitals, using quantum chemical methods. The model successfully explained experimental dependences of photogenerated charge yield in poly{1-[4-(trimethylsilyl)phenyl]-2-phenylacetylene} exhibiting a strong sensitivity on electric field strength over a very large interval. This indicates the model applicability for estimation of fill factor in solar cells. The model was found stable toward various distributions of charge transfer states (on-chain delocalization, charge transfer to side groups, helix structure, etc.) and tunneling effects behind potential barrier.
    Trvalý link: http://hdl.handle.net/11104/0284961

     
     
Počet záznamů: 1  

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