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Non-Markovian reduced dynamics of ultrafast charge transfer at an oligothiophene–fullerene heterojunction. / Hughes, K.H.; Cahier, B.; Martinazzo, R.; Tamura, H.; Burghardt, I.

In: Chemical Physics, Vol. 442, 09.07.2014, p. 111-118.

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Hughes, K.H. ; Cahier, B. ; Martinazzo, R. ; Tamura, H. ; Burghardt, I. / Non-Markovian reduced dynamics of ultrafast charge transfer at an oligothiophene–fullerene heterojunction. In: Chemical Physics. 2014 ; Vol. 442. pp. 111-118.

RIS

TY - JOUR

T1 - Non-Markovian reduced dynamics of ultrafast charge transfer at an oligothiophene–fullerene heterojunction

AU - Hughes, K.H.

AU - Cahier, B.

AU - Martinazzo, R.

AU - Tamura, H.

AU - Burghardt, I.

PY - 2014/7/9

Y1 - 2014/7/9

N2 - 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.

AB - 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.

U2 - 10.1016/j.chemphys.2014.06.015

DO - 10.1016/j.chemphys.2014.06.015

M3 - Article

VL - 442

SP - 111

EP - 118

JO - Chemical Physics

JF - Chemical Physics

SN - 0301-0104

ER -