[en] 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.
Disciplines :
Physics
Author, co-author :
Daniel, C.
Westenhoff, S.
Makereel, F.
Friend, R.H.
Beljonne, David ; Université de Mons > Faculté de Médecine et de Pharmacie > Chimie générale, organique et biomédicale ; Université de Mons > Faculté des Sciences > Chimie des matériaux nouveaux
Herz, L.M.
Silva, C.
Language :
English
Title :
Monte Carlo Simulation of Exciton Bimolecular Annihilation Dynamics in Supramolecular Semiconductor Architectures
Publication date :
27 December 2007
Journal title :
Journal of Physical Chemistry. C, Nanomaterials and interfaces
ISSN :
1932-7447
Publisher :
American Chemical Society, Washington, United States - District of Columbia
Volume :
111
Issue :
51
Pages :
19111-19119
Peer reviewed :
Peer Reviewed verified by ORBi
Research unit :
S817 - Chimie des matériaux nouveaux
Research institute :
R400 - Institut de Recherche en Science et Ingénierie des Matériaux
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