Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode films

Tonnelé, Claire, Stroet, Martin, Caron, Bertrand, Clulow, Andrew J., Nagiri, Ravi C. R., Malde, Alpeshkumar K., Burn, Paul L., Gentle, Ian R., Mark, Alan E. and Powell, Benjamin J. (2017) Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode films. Angewandte Chemie - International Edition, 56 29: 8402-8406. doi:10.1002/anie.201610727

Attached Files (Some files may be inaccessible until you login with your UQ eSpace credentials)
Name Description MIMEType Size Downloads
UQ453398_OA.pdf application/pdf 2.95MB 0

Author Tonnelé, Claire
Stroet, Martin
Caron, Bertrand
Clulow, Andrew J.
Nagiri, Ravi C. R.
Malde, Alpeshkumar K.
Burn, Paul L.
Gentle, Ian R.
Mark, Alan E.
Powell, Benjamin J.
Title Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode films
Journal name Angewandte Chemie - International Edition   Check publisher's open access policy
ISSN 1521-3773
Publication date 2017-02-07
Year available 2017
Sub-type Article (original research)
DOI 10.1002/anie.201610727
Open Access Status File (Author Post-print)
Volume 56
Issue 29
Start page 8402
End page 8406
Total pages 6
Place of publication Weinheim, Germany
Publisher Wiley
Language eng
Abstract The effect of varying the emitter concentration on the structural properties of an archetypal phosphorescent blend consisting of 4,4′-bis(N-carbazolyl)biphenyl and tris(2-phenylpyridyl)iridium(III) has been investigated using non-equilibrium molecular dynamics (MD) simulations that mimic the process of vacuum deposition. By comparison with reflectometry measurements, we show that the simulations provide an accurate model of the average density of such films. The emitter molecules were found not to be evenly distributed throughout film, but rather they can form networks that provide charge and/or energy migration pathways, even at emitter concentrations as low as ≈5 weight percent. At slightly higher concentrations, percolated networks form that span the entire system. While such networks would give improved charge transport, they could also lead to more non-radiative pathways for the emissive state and a resultant loss of efficiency.
Keyword Morphology
CBP blends
Q-Index Code C1
Q-Index Status Provisional Code
Grant ID DP150101097
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Mathematics and Physics
HERDC Pre-Audit
School of Chemistry and Molecular Biosciences
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 2 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 3 times in Scopus Article | Citations
Google Scholar Search Google Scholar
Created: Fri, 10 Feb 2017, 10:31:12 EST by Mrs Louise Nimwegen on behalf of School of Chemistry & Molecular Biosciences