<p>The presented thesis is devoted to the field of organic light emitting</p><p>diodes (OLEDs). Time-dependent Kohn-Sham density functional theory</p><p>(TDDFT) is applied</p><p>in order to eludicate optical properties such as fluorescence and</p><p>phosphorescence for some of the most important materials. The</p><p>accuracy of TDDFT is evaluated with respect to the calculated absorption</p><p>and emission spectra for commonly used light emitting polymers.</p><p>A continuation of this work is devoted to Polyfluorene as this polymer</p><p>has proven to be very promising. In this study the chain</p><p>length dependence of its singlet and triplet excited states is</p><p>analyzed as well as the excited state structures.</p><p>Understanding the phosphorescence mechanism of tris(2-phenylpyridine)Iridium is</p><p>of importance in order to interpret the high efficiency of OLEDs</p><p>containing these specimens. The mechanism is analyzed by calculating</p><p>the electric transition dipole moments by means of TDDFT using</p><p>quadratic response functions.</p><p>As not only the optical properties are essential for effective</p><p>devices, electron transfer properties are addressed. The electron</p><p>transfer capability of the sulfur and nitrogen analogues of Oxadiazole</p><p>is evaluated through their internal reorganization energy.</p>
| Identifer | oai:union.ndltd.org:UPSALLA/oai:DiVA.org:kth-4349 |
| Date | January 2007 |
| Creators | Jansson, Emil |
| Publisher | KTH, School of Biotechnology (BIO), Kista : Tillämpad Informationsteknik |
| Source Sets | DiVA Archive at Upsalla University |
| Language | English |
| Detected Language | English |
| Type | Licentiate thesis, comprehensive summary, text |
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