Theoretical Study of Dibenzothiophene Based Electron Transport Materials

Asanga B. Padmaperuma

Applied Materials Sciences Group, Pacific Northwest National Laboratory, Richland, USA.

DOI: 10.4236/ampc.2012.24033                

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.

Keywords

OLED; Electron Transport Molecules; PO15; Dibenzothiophene; DFT; TD-DFT

Conflicts of Interest

The authors declare no conflicts of interest.

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