Fused heterocyclic aromatics as potential organic semiconductors: A theoretical study

Faleh Al Tal, Phuong T.T. Pham, Mariam Ali Al-Maadeed, Mamoun M. Bader

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Scopus citations


We report herein the results of density functional theory calculations of the geometric and electronic structure for a series of fused heterocyclic compounds. These molecules were compared with the corresponding carbocyclic oligoacenes, which are currently being experimentally investigated for use as organic semiconductors. The impact of various structural modifications on this class of compounds on the calculated structures is examined. The results of our calculations reveal that such materials hold exceptional promise as organic semiconductors.

Original languageEnglish (US)
Title of host publicationConjugated Organic Materials-Synthesis, Structure, Device and Applications
Number of pages8
StatePublished - 2008
Event2008 MRS Spring Meeting - San Francisco, CA, United States
Duration: Mar 24 2008Mar 28 2008

Publication series

NameMaterials Research Society Symposium Proceedings
ISSN (Print)0272-9172


Other2008 MRS Spring Meeting
Country/TerritoryUnited States
CitySan Francisco, CA

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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