Non-Markovian reduced dynamics of ultrafast charge transfer at an oligothiophene-fullerene heterojunction

Keith H. Hughes, Benjamin Cahier, Rocco Martinazzo, Hiroyuki Tamura, Irene Burghardt

    Research output: Contribution to journalArticle

    12 Citations (Scopus)

    Abstract

    We extend our recent quantum dynamical study of the exciton dissociation and charge transfer at an oligothiophene-fullerene heterojunction interface (Tamura et al., 2012) [6] by investigating the process using the non-perturbative hierarchical equations of motion (HEOM) approach. Based upon an effective mode reconstruction of the spectral density the effect of temperature on the charge transfer is studied using reduced density matrices. It was found that the temperature had little effect on the charge transfer and a coherent dynamics persists over the first few tens of femtoseconds, indicating that the primary charge transfer step proceeds by an activationless pathway.

    Original languageEnglish
    Pages (from-to)111-118
    Number of pages8
    JournalChemical Physics
    Volume442
    DOIs
    Publication statusPublished - 2014 Oct 17

    Keywords

    • Exciton dynamics
    • HEOM
    • Non-Markovian
    • Organic photovoltaics
    • Spectral density

    ASJC Scopus subject areas

    • Physics and Astronomy(all)
    • Physical and Theoretical Chemistry

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