Inhomogeneous transport in model hydrated polymer electrolyte supported ultrathin films

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DOIResolve DOI: http://doi.org/10.1021/nn401624p
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TypeArticle
Journal titleACS Nano
ISSN1936-0851
Volume7
Issue8
Pages67676773; # of pages: 7
SubjectClassical 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
AbstractThe 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.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC); Energy, Mining and Environment (EME-EME)
Peer reviewedYes
NPARC number21269933
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Record identifier0c637e89-dfd0-40ca-9f38-826e989ca1f3
Record created2013-12-13
Record modified2016-05-09
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