Self-Organization in Catalyst Layers of Polymer Electrolyte Fuel Cells

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• 作者：Kourosh Malek ; Michael Eikerling ; Qianpu Wang ; Titichai Navessin ; Zhongsheng Liu
• 刊名：Journal of Physical Chemistry C
• 出版年：2007
• 出版时间：September 13, 2007
• 年：2007
• 卷：111
• 期：36
• 页码：13627 - 13634
• 全文大小：5651K
• 年卷期：v.111,no.36(September 13, 2007)
• ISSN：1932-7455

文摘

Understanding the factors that control microstructure formation in catalyst layers (CLs) of polymer electrolytefuel cells is of vital importance for improving the operation of these cells. Here, we employ, for the firsttime, coarse-grained molecular dynamics simulations to perform a structural analysis of the microphasesegregation occurring during the fabrication process of CLs. Our mesoscale simulations provide insights intothe structural correlations and dynamical behavior of different phases in the catalyst layer composite. Thisversatile computational study, moreover, rationalizes how the solvent used in catalyst layer fabrication influencesthe evolution of stable agglomerated conformations. In this realm, we evaluate dispersion media with distinctdielectric properties in view of capabilities for controlling the sizes of carbon/Pt agglomerates and ionomerdomains and the resulting pore network topology. These insights are highly valuable for the structural designof catalyst layers with optimized performance and stability.