@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} }

- Published 2016 in The Journal of chemical physics
DOI:10.1063/1.4960051

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

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