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

Hughes, K.H. and Cahier, B. and Martinazzo, R. and Tamura, H. and Burghardt, I. (2014) Non-Markovian reduced dynamics of ultrafast charge transfer at an oligothiophene–fullerene heterojunction. Chemical Physics, 442. pp. 111-118. DOI: 10.1016/j.chemphys.2014.06.015

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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.

Item Type: Article
Subjects: Research Publications
Departments: College of Physical and Applied Sciences > School of Chemistry
Date Deposited: 09 Dec 2014 16:28
Last Modified: 09 Oct 2015 02:32
ISSN: 0301-0104
URI: http://e.bangor.ac.uk/id/eprint/232
Identification Number: DOI: 10.1016/j.chemphys.2014.06.015
Publisher: Elsevier
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