Self-Organization in Catalyst Layers of Polymer Electrolyte Fuel Cells

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DOIResolve DOI: http://doi.org/10.1021/jp072692k
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TypeArticle
Journal titleThe Journal of Physical Chemistry C
Volume111
Issue36
Pages1362713634; # of pages: 8
AbstractUnderstanding the factors that control microstructure formation in catalyst layers (CLs) of polymer electrolyte fuel cells is of vital importance for improving the operation of these cells. Here, we employ, for the first time, coarse-grained molecular dynamics simulations to perform a structural analysis of the microphase segregation occurring during the fabrication process of CLs. Our mesoscale simulations provide insights into the structural correlations and dynamical behavior of different phases in the catalyst layer composite. This versatile computational study, moreover, rationalizes how the solvent used in catalyst layer fabrication influences the evolution of stable agglomerated conformations. In this realm, we evaluate dispersion media with distinct dielectric properties in view of capabilities for controlling the sizes of carbon/Pt agglomerates and ionomer domains and the resulting pore network topology. These insights are highly valuable for the structural design of catalyst layers with optimized performance and stability.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada; NRC Institute for Fuel Cell Innovation
Peer reviewedYes
NPARC number8900934
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Record identifier81274a11-82cb-45d9-ad11-973d70802410
Record created2009-04-22
Record modified2017-03-23
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