Trap limited exciton transport in conjugated polymers

Stavros Athanasopoulos, Emmanuelle Hennebicq, David Beljonne, Alison Walker

Research output: Contribution to journalArticle

56 Citations (Scopus)

Abstract

A Monte-Carlo approach based on hopping rates computed from quantum-chemical calculations is applied to model the energy diffusion dynamics in a polyindenofluorene conjugated polymer on a predetermined chain morphology. While the model predicts faster time-dependent energy evolution than that seen by site-selective experiments and yields a diffusion length that is an order of magnitude larger than typical experimental values, we show that these discrepancies can be corrected by introducing a low concentration of traps in the transport simulations. Implications for conjugated polymer based opto-electronic devices are discussed.
LanguageEnglish
Pages11532-11538
Number of pages7
JournalJournal of Physical Chemistry C
Volume112
Issue number30
DOIs
StatusPublished - 2008

Fingerprint

Conjugated polymers
Excitons
excitons
traps
polymers
diffusion length
optoelectronic devices
Optoelectronic devices
low concentrations
energy
simulation
Experiments
LDS 751

Cite this

Trap limited exciton transport in conjugated polymers. / Athanasopoulos, Stavros; Hennebicq, Emmanuelle; Beljonne, David; Walker, Alison.

In: Journal of Physical Chemistry C, Vol. 112, No. 30, 2008, p. 11532-11538.

Research output: Contribution to journalArticle

Athanasopoulos, S, Hennebicq, E, Beljonne, D & Walker, A 2008, 'Trap limited exciton transport in conjugated polymers', Journal of Physical Chemistry C, vol. 112, no. 30, pp. 11532-11538. https://doi.org/10.1021/jp802704z
Athanasopoulos, Stavros ; Hennebicq, Emmanuelle ; Beljonne, David ; Walker, Alison. / Trap limited exciton transport in conjugated polymers. In: Journal of Physical Chemistry C. 2008 ; Vol. 112, No. 30. pp. 11532-11538.
@article{889c1175e8924e95b5f11cfbc4295dd4,
title = "Trap limited exciton transport in conjugated polymers",
abstract = "A Monte-Carlo approach based on hopping rates computed from quantum-chemical calculations is applied to model the energy diffusion dynamics in a polyindenofluorene conjugated polymer on a predetermined chain morphology. While the model predicts faster time-dependent energy evolution than that seen by site-selective experiments and yields a diffusion length that is an order of magnitude larger than typical experimental values, we show that these discrepancies can be corrected by introducing a low concentration of traps in the transport simulations. Implications for conjugated polymer based opto-electronic devices are discussed.",
author = "Stavros Athanasopoulos and Emmanuelle Hennebicq and David Beljonne and Alison Walker",
year = "2008",
doi = "10.1021/jp802704z",
language = "English",
volume = "112",
pages = "11532--11538",
journal = "Journal of Physical Chemistry C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "30",

}

TY - JOUR

T1 - Trap limited exciton transport in conjugated polymers

AU - Athanasopoulos, Stavros

AU - Hennebicq, Emmanuelle

AU - Beljonne, David

AU - Walker, Alison

PY - 2008

Y1 - 2008

N2 - A Monte-Carlo approach based on hopping rates computed from quantum-chemical calculations is applied to model the energy diffusion dynamics in a polyindenofluorene conjugated polymer on a predetermined chain morphology. While the model predicts faster time-dependent energy evolution than that seen by site-selective experiments and yields a diffusion length that is an order of magnitude larger than typical experimental values, we show that these discrepancies can be corrected by introducing a low concentration of traps in the transport simulations. Implications for conjugated polymer based opto-electronic devices are discussed.

AB - A Monte-Carlo approach based on hopping rates computed from quantum-chemical calculations is applied to model the energy diffusion dynamics in a polyindenofluorene conjugated polymer on a predetermined chain morphology. While the model predicts faster time-dependent energy evolution than that seen by site-selective experiments and yields a diffusion length that is an order of magnitude larger than typical experimental values, we show that these discrepancies can be corrected by introducing a low concentration of traps in the transport simulations. Implications for conjugated polymer based opto-electronic devices are discussed.

UR - http://www.scopus.com/inward/record.url?scp=49449101314&partnerID=8YFLogxK

UR - http://dx.doi.org/10.1021/jp802704z

U2 - 10.1021/jp802704z

DO - 10.1021/jp802704z

M3 - Article

VL - 112

SP - 11532

EP - 11538

JO - Journal of Physical Chemistry C

T2 - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 30

ER -