Models of organometallic complexes for optoelectronic applications

Jacko, A. C., McKenzie, Ross H. and Powell, B. J. (2010) Models of organometallic complexes for optoelectronic applications. Journal of Materials Chemistry, 20 46: 10301-10307. doi:10.1039/c0jm01786h

Author Jacko, A. C.
McKenzie, Ross H.
Powell, B. J.
Title Models of organometallic complexes for optoelectronic applications
Journal name Journal of Materials Chemistry   Check publisher's open access policy
ISSN 0959-9428
Publication date 2010-12
Sub-type Article (original research)
DOI 10.1039/c0jm01786h
Open Access Status Not Open Access
Volume 20
Issue 46
Start page 10301
End page 10307
Total pages 7
Place of publication Cambridge, England
Publisher Royal Society of Chemistry
Collection year 2011
Language eng
Formatted abstract
Organometallic complexes have potential applications as the optically active components of organic light emitting diodes (OLEDs) and organic photovoltaics (OPV). Development of more effective complexes may be aided by understanding their excited state properties. Here we discuss two key theoretical approaches to investigate these complexes: first principles atomistic models and effective Hamiltonian models. We review applications of these methods, such as, determining the nature of the emitting state, predicting the fraction of injected charges that form triplet excitations, and explaining the sensitivity of device performance to small changes in the molecular structure of the organometallic complexes.
© 2010 The Royal Society of Chemistry.
Keyword Density-functional Theory
Excited-state Properties
Light-emitting Devices
Photophysical Properties
Iridium complexes
Electronic states
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ
Additional Notes Received 6th June 2010, Accepted 12th July 2010

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Mathematics and Physics
Official 2011 Collection
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 21 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 22 times in Scopus Article | Citations
Google Scholar Search Google Scholar
Created: Sun, 05 Dec 2010, 00:07:10 EST