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

Puhakka Eini, Koponen Ulla, Mikael Bergelin, Keskinen Jari, Kumpulainen Heikki, Peltonen Terttu, Valkiainen Matti

    Forskningsoutput: Kapitel i bok/konferenshandlingKonferensbidragVetenskapligPeer review

    Sammanfattning

    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.
    OriginalspråkOdefinierat/okänt
    Titel på gästpublikationProton Conducting Membrane Fuel Cells III : proceedings of the International Symposium
    Redaktörer Murthy, Fuller, Van Zee, Gottesfeld
    FörlagThe Electrochemical Society
    Sidor74–88
    ISBN (tryckt)9781566774551
    StatusPublicerad - 2005
    MoE-publikationstypA4 Artikel i en konferenspublikation
    Evenemangconference -
    Varaktighet: 1 jan 2010 → …

    Konferens

    Konferensconference
    Period01/01/10 → …

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