Charge transport properties in a series of five-ring-fused thienoacenes: A quantum chemistry and molecular mechanic study

Shou Feng Zhang, Xian Kai Chen, Jian Xun Fan, Ai Min Ren

Research output: Contribution to journalArticlepeer-review

25 Citations (Scopus)

Abstract

The charge transport properties in a series of five-ring-fused thienoacenes are detailedly investigated here. With both high 3-D hole mobilities and good oxidative stability, the thiophene-benzene alternate structures in series B should be better than other two series as p-type organic semiconductors. In addition, a theoretical explanation for the difference between experimental hole mobilities in B-3 and B-3- is provided based on crystal structure prediction. The role of dynamic disorder in C-3 is also investigated here and the results indicate that dynamic disorder plays a crucial role both in the 1-D and 2-D carrier transporting process.

Original languageEnglish
Pages (from-to)607-620
Number of pages14
JournalOrganic Electronics
Volume14
Issue number2
DOIs
Publication statusPublished - Feb 2013
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Biomaterials
  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry
  • Electrical and Electronic Engineering

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