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

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

    研究成果: Article査読

    15 被引用数 (Scopus)

    抄録

    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.

    本文言語English
    ページ(範囲)111-118
    ページ数8
    ジャーナルChemical Physics
    442
    DOI
    出版ステータスPublished - 2014 10月 17

    ASJC Scopus subject areas

    • 物理学および天文学(全般)
    • 物理化学および理論化学

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