Models of organometallic complexes for optoelectronic applications

Details Models of organometallic complexes for optoelectronic applications Models of organometallic complexes for optoelectronic applications

2010-07-02

arxiv.org/abs/1007.0289v1

J. Mater. Chem. 20, 10301 (2010)

Physics

Chemical Physics

To appear in themed issue of J. Mat. Chem. on the modelling of materials

Scientific paper

10.1039/C0JM01786H

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.

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