Advances in Materials Physics and Chemistry
Volume 2, Issue 4 (December 2012)
ISSN Print: 2162-531X ISSN Online: 2162-5328
Google-based Impact Factor: 0.65 Citations h5-index & Ranking
Theoretical Study of Dibenzothiophene Based Electron Transport Materials ()
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ABSTRACT
Density functional methods have been used for the calculation of electronic structures, electronic transitions, vertical electron affinities and intermolecular reorganization energies for tri-aryl substituted dibenzothiophenes. These model compounds were then compared to the predicted values for dibenzo[b,d]thiophen-2-yltriphenylsilane (DBTSI 2) and to dibenzo[b,d]thiophene-2,8-diylbis(diphenylphosphine oxide) (PO15), known electron transport molecules. The results indicate that these model compounds can be used in a blue OLED system.
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