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Titel:

Influence of acceptor on charge mobility in stacked π-conjugated polymers

Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
Sun, S.-J.; Menšík, M.; Petr Toman, P.; Gagliardi, A.; Král, K.
Abstract:
We present a quantum molecular model to calculate mobility of π-stacked P3HT polymer layers with electron acceptor dopants coupled next to side groups in random position with respect to the linear chain. The hole density, the acceptor LUMO energy and the hybridization transfer integral between the acceptor and polymer were found to be very critical factors to the final hole mobility. For a dopant LUMO energy close and high above the top of the polymer valence band we have found a significant mob...     »
Stichworte:
Hole mobility; Conductive polymers; P3HT; Electron acceptor
Zeitschriftentitel:
Chemical Physics Volume 501, 14 February Pages 8–14 2018-02
Jahr:
2018
Jahr / Monat:
2018-02
Quartal:
1. Quartal
Monat:
Feb
Seitenangaben Beitrag:
8-14
Sprache:
en
Volltext / DOI:
doi:10.1016/j.chemphys.2017.11.016
WWW:
https://www.sciencedirect.com/science/article/pii/S0301010417308224
Verlag / Institution:
Elsevier B.V.
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