TITLE:
Theoretical Study of Dibenzothiophene Based Electron Transport Materials
AUTHORS:
Asanga B. Padmaperuma
KEYWORDS:
OLED; Electron Transport Molecules; PO15; Dibenzothiophene; DFT; TD-DFT
JOURNAL NAME:
Advances in Materials Physics and Chemistry,
Vol.2 No.4,
December
31,
2012
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.