Comparison of modeling and experimental results of modified Pt-​based PEMFC cathode-​catalysts

A4 Conference proceedings

Internal Authors/Editors

Publication Details

List of Authors: Puhakka Eini, Koponen Ulla, Bergelin Mikael, Keskinen Jari, Kumpulainen Heikki, Peltonen Terttu, Valkiainen Matti
Editors: Murthy, Fuller, Van Zee, Gottesfeld
Publication year: 2005
Publisher: The Electrochemical Society
Book title: Proton Conducting Membrane Fuel Cells III : proceedings of the International Symposium
Volume number: 2002-31
Start page: 74
End page: 88
ISBN: 9781566774551


Pt-​based binary and ternary alloy catalysts were investigated by modeling methods and exptl. The lattice parameters of Pt, Pt3Cr, Pt3Co, Pt3Ir, Pt2CoCr, Pt2CoIr, Pt2Cr2 and Pt2Co2 were detd. by mol. modeling methods. According to the optimized structures, the most typical crystal faces were generated. In order to get a good description of steric and electrostatic factors of material surfaces, reconstruction of surface atoms was taken into account. It was shown that the alloying of Pt with base metals affect surface charge densities, which enables steering of surface reactions into desired positions on the catalyst surface. Both com. (E-​TEK) and lab.-​made catalyst powders and inks based on Pt:Co​/C and Pt:Co:Cr​/C were characterized voltammetrically. The active Pt surface area increased after activating the catalyst. This can most likely be attributed to the dissolving of Co and Cr from the alloys. All lab.-​made catalysts were also characterized by XRD, TEM and STEM​/EDS.

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