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Theoretical Study of Dibenzothiophene Based Electron Transport Materials

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DOI: 10.4236/ampc.2012.24033    3,542 Downloads   6,085 Views Citations


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.

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