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Electron-phonon coupling effects on intrachain polaron recombination in conjugated polymers.

Authors :
Monteiro FF
Ribeiro Junior LA
de Almeida Fonseca AL
E Silva GM
da Cunha WF
Source :
Journal of molecular modeling [J Mol Model] 2017 Feb; Vol. 23 (2), pp. 42. Date of Electronic Publication: 2017 Feb 02.
Publication Year :
2017

Abstract

Based on a one-dimensional Su-Schrieffer-Heeger (SSH) model with electron correlation considered within the extended Hubbard model (EHM), we investigate the role played by electron-phonon coupling constant on intrachain polaron recombination in conjugated polymers. Our results suggest that a competition between external electric field and electron-phonon coupling on defining the behavior of the charge distribution of the system takes place. Whereas increasing electric field plays the role of destabilizing the charge carriers, an increase of the electron-phonon coupling has the opposite effect. Therefore, a suitable balance of these properties can give rise to the correct description of charge carrier dynamics in conducting polymers.

Details

Language :
English
ISSN :
0948-5023
Volume :
23
Issue :
2
Database :
MEDLINE
Journal :
Journal of molecular modeling
Publication Type :
Academic Journal
Accession number :
28154979
Full Text :
https://doi.org/10.1007/s00894-016-3188-5