Structure and Dynamics of Conducting Poly(aniline) based Compounds

This thesis concerns one full study of structural and dynamical properties ofone family of conducting compounds of “plastdoped” polyaniline. Various experimental techniques have been combined as the wide angle X-ray diffraction and the small angle x ray scattering measurements (WAXS and SAXS), incoherent quasi-elastic neutron scattering techniques and numerical simulations of molecular dynamics based on a force field method.This combination allowed us to propose for these compounds one model of lamellar like stable structure with statistical fluctuation of the electronic density along the stacking direction of molecular layers. Moreover, in this model framework, it has been possible to study in detail the structural anisotropy of films and the structural evolution of the films under stretching.Finally, one second half of the thesis is devoted to the analysis of molecular dynamics data obtained by using quasi-elastic neutron scattering techniques. We could show that most of the dynamics in the 10-13-10-9 s time window concerns the motion of proton bore on the flexible tails of doping counter-ions. This dynamics has been found as very broadly distributed in time and also spatially along the plast-dopant tails and among the different plast-dopants as well. The results of numerical simulations agree remarkably well with experimental measurements. The atomic trajectories calculated in these simulations allowed us to recover all the scattering functions experimentally measured. The simulations have not only confirmed the starting hypothesis on which an analytical model for the dynamics was built but also revealed details on the way the dynamics is spatially distributed among the different plast-dopants.

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Source https://theses.hal.science/tel-00067766
Author Sniechowski, Maciej
Maintainer CCSD
Last Updated May 25, 2026, 07:40 (UTC)
Created May 25, 2026, 07:40 (UTC)
Identifier tel-00067766
Language en
Rights https://about.hal.science/hal-authorisation-v1/
contributor Laboratoire de Spectrométrie Physique (LSP) ; Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)
creator Sniechowski, Maciej
date 2005-06-17T00:00:00
harvest_object_id 424e921a-2640-4cd5-a7bf-bf28560aa407
harvest_source_id 3374d638-d20b-4672-ba96-a23232d55657
harvest_source_title test moissonnage SELUNE
metadata_modified 2025-09-27T00:00:00
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