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G. Black, J. Chase, J. Chatterton, J. Daily, T. Elsethagen, D. Feller, D. Gracio, D. Jones, T. Keller, C. Lansing, S. Matsumoto, B. Palmer, M. Peterson, K. Schuchardt, E. Stephan, L. Sun, K. Swanson, H. Taylor, G. Thomas, E. Vorpagel, T. Windus and C. Winters, “ECCE, a Problem Solving Environment for Computational Chemistry, Software Version 6.3,” Pacific Northwest National Laboratory, Richland, Washington, 2011.

has been cited by the following article:

• 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.