Sci. Adv. Today 2 (2016) 25258  
  Research Article  
   
   
         
Electronic transport in cyclic carotenoids based π conjugation system  
  V. F. P. Aleixoa, C. A. B. da Silva Júniora, J. Del Nerob,c  
     
a Faculdade de Física, Universidade Federal do Pará, Ananindeua, 67113-901, Brazil
b Departamento de Física, Universidade Federal do Pará, Belém, 66075-110, Brazil
c Department of Physics, University of Florida, Gainesville, 32603, USA

   
  Abstract  
  We investigated, by means of Density Functional Theory/Non-Equilibrium Green´s Function calculations, the electronic transport properties of molecular junctions in p conjugation systems composed by cyclic carotenoids and polyenic chains connecting them (with five, seven, nine and eleven double bonds). These molecular structures were coupled to a thiol group (-SH) via methylene (CH2) junction to connect the molecule in the gold electrode. We found from the current vs. voltage characteristic that the Fowler-Nordheim and Millikan-Lauritsen plots exhibit a minimum voltage (Vmin) that occurs whenever the tail of a resonant transmission peak enters the bias window. We verified that Vmin does not depend on the carotenoids length. The results are best fitted by coherent molecular model given by the Landauer–Büttiker formula that takes into account the electronic energy levels of the molecule when coupled at the leads (different chemical potential generates electric current).  
     
   
  Cite this article as:  
  V. F. P. Aleixo, C. A. B. da Silva Júnior, J. Del Nero, Electronic transport in cyclic carotenoids based π conjugation system , Sci. Adv. Today 2 (2016) 25258.