Theoretical Study of Dibenzothiophene Based Electron Transport Materials


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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A. Padmaperuma, "Theoretical Study of Dibenzothiophene Based Electron Transport Materials," Advances in Materials Physics and Chemistry, Vol. 2 No. 4, 2012, pp. 219-225. doi: 10.4236/ampc.2012.24033.

Conflicts of Interest

The authors declare no conflicts of interest.


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