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Computer simulations for organic light-emitting diodes

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2 Author(s)
Curioni, Alessandro ; IBM Research, Zurich Research Laboratory, Säumerstrasse 4, 8803 Rüschlikon, Switzerland ; Andreoni, Wanda

The physical and chemical properties of tris(8-hydroxyquinolinato)aluminum (Alq3), one of the organic materials most commonly used as the light-emitting layer of OLEDs, and the interface with possible metal cathodes are investigated by means of first-principles computer simulations. A number of new insights have emerged from this study, and we emphasize the consequences of the properties thus discovered with respect to the functioning of OLED devices. In particular, novel Alq3 derivatives can be designed with the aid of computations that should enhance the intrinsic luminescence of the pristine material.

Note: The Institute of Electrical and Electronics Engineers, Incorporated is distributing this Article with permission of the International Business Machines Corporation (IBM) who is the exclusive owner. The recipient of this Article may not assign, sublicense, lease, rent or otherwise transfer, reproduce, prepare derivative works, publicly display or perform, or distribute the Article.  

Published in:

IBM Journal of Research and Development  (Volume:45 ,  Issue: 1 )