Effect of five-membered ring and heteroatom substitution on charge transport properties of perylene discotic derivatives: A theoretical approach.

@article{Navarro2016EffectOF,
  title={Effect of five-membered ring and heteroatom substitution on charge transport properties of perylene discotic derivatives: A theoretical approach.},
  author={Amparo S{\'a}nchez Navarro and Maria P Fern{\'a}ndez-Liencres and Tom{\'a}s Pe{\~n}a-Ruiz and Gregorio Garc{\'i}a and Jose Manuel Granadino-Rold{\'a}n and M. Encarnaci{\'o}n Fern{\'a}ndez-G{\'o}mez},
  journal={The Journal of chemical physics},
  year={2016},
  volume={145 5},
  pages={054903}
}
Density functional theory calculations were carried out to investigate the evolvement of charge transport properties of a set of new discotic systems as a function of ring and heteroatom (B, Si, S, and Se) substitution on the basic structure of perylene. The replacement of six-membered rings by five-membered rings in the reference compound has shown a… CONTINUE READING