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Inhomogeneous transport in model hydrated polymer electrolyte supported ultrathin films

Par Conseil national de recherches du Canada

DOITrouver le DOI : https://doi.org/10.1021/nn401624p
AuteurRechercher : ; Rechercher : ; Rechercher : 1; Rechercher : ; Rechercher :
Affiliation
  1. Conseil national de recherches du Canada. Énergie, les mines et l'environnement
FormatTexte, Article
SujetClassical molecular dynamics; Electrochemical activities; Fuel-cell catalyst layers; Hydrophilic/hydrophobic; Molecular dynamics simulations; Polymer electrolyte membranes; Technological activity; transport/nanostructure interplay; Catalysts; Fuel cells; Hydration; Molecular dynamics; Polyelectrolytes; Transport properties; Ultrathin films
Résumé
The structure of polymer electrolyte membranes, e.g., Nafion, inside fuel cell catalyst layers has significant impact on the electrochemical activity and transport phenomena that determine cell performance. In those regions, Nafion can be found as an ultrathin film, coating the catalyst and the catalyst support surfaces. The impact of the hydrophilic/hydrophobic character of these surfaces on the structural formation of the films and, in turn, on transport properties has not been sufficiently explored yet. Here, we report classical molecular dynamics simulations of hydrated Nafion thin films in contact with unstructured supports, characterized by their global wetting properties only. We have investigated structure and transport in different regions of the film and found evidence of strongly heterogeneous behavior. We speculate about the implications of our work on experimental and technological activity. © 2013 American Chemical Society.
Date de publication
Dans
  • ACS Nano 7, nº 8 (2013) : 6767–6773.
Langueanglais
Publications évaluées par des pairsOui
Numéro NPARC21269933
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Identificateur de l’enregistrement0c637e89-dfd0-40ca-9f38-826e989ca1f3
Enregistrement créé2013-12-13
Enregistrement modifié2020-04-22
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