Computational studies of the formation of Nafion ultra-thin films inside PEMFC catalyst layer

Nafion inside Polymer Electrolyte Membrane Fuel Cells (PEMFC) catalyst layers can be found as an ultra-thin film coating the catalyst and the catalyst support surfaces. Nafion morphology shows to be strongly sensitive to the type of material where the film is deposited, especially the hydrophobic/philic character of these materials. Our work consists in performing a complete investigation of the substrate hydrophilicity effects on the physical properties of Nafion ultra-thin film at different hydration levels. We investigate in a unique framework a variety of environments peculiar of the PEMFC catalyst layer, ranging from hydrophobic (carbon) to hydrophilic (platinum) substrates. The numerical method chosen for this work is classical Molecular Dynamics simulations. The well-thermalized thin-film configurations were described in details in terms of their structural and dynamical properties.

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Source https://theses.hal.science/tel-00952802
Author Damasceno Borges, Daiane, Damasceno Borges
Maintainer CCSD
Last Updated May 6, 2026, 05:24 (UTC)
Created May 6, 2026, 05:24 (UTC)
Identifier NNT: 2013GRENI011
Language fr
Rights https://about.hal.science/hal-authorisation-v1/
contributor Laboratoire des Composants PEM (LCPEM) ; Commissariat à l'énergie atomique et aux énergies alternatives (CEA)
creator Damasceno Borges, Daiane, Damasceno Borges
date 2013-04-12T00:00:00
harvest_object_id 9ef0d831-7c47-4ca0-a6c2-49fb15a7e3d8
harvest_source_id 3374d638-d20b-4672-ba96-a23232d55657
harvest_source_title test moissonnage SELUNE
metadata_modified 2026-03-31T00:00:00
set_spec type:THESE