DI-UMONS : Dépôt institutionnel de l’université de Mons

Recherche transversale
Rechercher
(titres de publication, de périodique et noms de colloque inclus)
2009-03-26 - Article/Dans un journal avec peer-review - Anglais - 6 page(s)

Van Averbeke Bernard, Beljonne David , "Conformational Effects on Excitation Transport along Conjugated Polymer Chains" in Journal of Physical Chemistry A, 113, 12, 2677-2682

  • Edition : American Chemical Society, Washington (DC)
  • Codes CREF : Chimie quantique (DI1321), Optique (DI1250)
  • Unités de recherche UMONS : Chimie des matériaux nouveaux (S817)
  • Instituts UMONS : Institut de Recherche en Science et Ingénierie des Matériaux (Matériaux)
Texte intégral :

Abstract(s) :

(Anglais) The dynamics of energy transport along rigid rod conjugated polymerpoly(p-phenylenebutadyine)chains is modeled with a special emphasis on the role of conformational disorder. A simple random growth algorithm based on torsion potentials with increasing stiffness yields polymer chains with increasing degree of conjugation and narrower energetic distributions. Despite the fact that the average hopping rate between two subunits is reduced (because the decrease in electronic coupling overwhelms the increase in spectral overlap), a more efficient excitation motion along chains with longer conjugated segments is predicted, in good agreement with recent experiments. This points to the central role of conformational disorder on intrachain energy diffusion in conjugated polymers.

Notes :
  • (Anglais) Publié en ligne le 4 mars 2009
Identifiants :
  • DOI : 10.1021/jp810815d