Models of organometallic complexes for optoelectronic applications

TitleModels of organometallic complexes for optoelectronic applications
Publication TypeJournal Article
Year of Publication2010
AuthorsJacko, A. C., McKenzie Ross H., and Powell Ben J.
JournalJ. Mater. Chem.
Date Published07/2010

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.