The Molecular Origin of Anisotropic Emission in an Organic Light-Emitting Diode

Lee, Thomas, Caron, Bertrand, Stroet, Martin, Huang, David M., Burn, Paul L. and Mark, Alan E. (2017) The Molecular Origin of Anisotropic Emission in an Organic Light-Emitting Diode. Nano Letters, 17 10: 6464-6468. doi:10.1021/acs.nanolett.7b03528

Author Lee, Thomas
Caron, Bertrand
Stroet, Martin
Huang, David M.
Burn, Paul L.
Mark, Alan E.
Title The Molecular Origin of Anisotropic Emission in an Organic Light-Emitting Diode
Journal name Nano Letters   Check publisher's open access policy
ISSN 1530-6992
Publication date 2017-09-11
Year available 2017
Sub-type Article (original research)
DOI 10.1021/acs.nanolett.7b03528
Open Access Status Not yet assessed
Volume 17
Issue 10
Start page 6464
End page 6468
Total pages 5
Place of publication Washington, United States
Publisher American Chemical Society
Language eng
Subject 1502 Bioengineering
1600 Chemistry
2500 Materials Science
3104 Condensed Matter Physics
2210 Mechanical Engineering
Abstract Atomistic nonequilibrium molecular dynamics simulations have been used to model the induction of molecular orientation anisotropy within the emission layer of an organic light-emitting diode (OLED) formed by vapor deposition. Two emitter species were compared: racemic fac-tris(2-phenylpyridine)iridium(III) (Ir(ppy)) and trans-bis(2-phenylpyridine)(acetylacetonate)iridium(III) (Ir(ppy)(acac)). The simulations show that the molecular symmetry axes of both emitters preferentially align perpendicular to the surface during deposition. The molecular arrangement formed on deposition combined with consideration of the transition dipole moments provides insight into experimental reports that Ir(ppy) shows isotropic emission, while Ir(ppy)(acac) displays improved efficiency due to an apparent preferential alignment of the transition dipole vectors parallel to the substrate. The simulations indicate that this difference is not due to differences in the extent of emitter alignment, but rather differences in the direction of the transition dipoles within the two complexes.
Keyword molecular simulation
Organic light-emitting diodes
outcoupling efficiency
thin films
transition dipole orientation
vapor deposition
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: HERDC Pre-Audit
School of Chemistry and Molecular Biosciences
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Created: Fri, 03 Nov 2017, 09:11:28 EST