Non-Markovian reduced dynamics of ultrafast charge transfer at an oligothiophene–fullerene heterojunction
Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid
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Yn: Chemical Physics, Cyfrol 442, 09.07.2014, t. 111-118.
Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid
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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 -