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2007-12-27 - Article/Dans un journal avec peer-review - Anglais - 9 page(s)

Daniel C., Westenhoff S., Makereel F., Friend R.H., Beljonne David , Herz L.M., Silva C., "Monte Carlo Simulation of Exciton Bimolecular Annihilation Dynamics in Supramolecular Semiconductor Architectures" in Journal of Physical Chemistry C: Nanomaterials, Interfaces, and Hard Matter, 111, 51, 19111-19119

  • Edition : American Chemical Society, Washington (DC)
  • Codes CREF : Physique de l'état solide (DI1261)
  • 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) We present a simulation of exciton dynamics in supramolecular assemblies of an oligo-p-phenylenevinylene derivative monofunctionalised with a quadruple hydrogen-bonding group (MOPV). MOPV molecules form helical stacks in dodecane solution through solvophobic and p-p interactions with thermotropic reversibility. We apply a model of incoherent excitation hopping using a Monte Carlo scheme to extract microscopic physical quantities relevant to energy diffusion and bimolecular annihilation processes within isolated nanostructures. We compare the simulation to ultrafast spectroscopic data, namely photoinduced absorption transients at various excitation fluences, their polarization anisotropy, and the dynamic photoluminescence red-shift. We observe that energy diffusion and bimolecular annihilation processes can be described with the same microscopic model based on a Förster-like model that takes into account the spatial extent of the excited state; these two processes are interconnected via the same underlying physics. We extract a high diffusion coefficient (0.08 cm2 s-1) over the first few picoseconds following excitation, which plays an important role in dictating the bimolecular annihilation dynamics.

Notes :
  • (Anglais) Publié en ligne le 30 novembre 2007
Identifiants :
  • DOI : 10.1021/jp0573644