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

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

Tutkimustuotos: Artikkeli kirjassa/raportissa/konferenssijulkaisussa › Konferenssiartikkeli › Tieteellinen › vertaisarvioitu

Abstrakti

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.

Alkuperäiskieli	Ei tiedossa
Otsikko	Proton Conducting Membrane Fuel Cells III : proceedings of the International Symposium
Toimittajat	Murthy, Fuller, Van Zee, Gottesfeld
Kustantaja	The Electrochemical Society
Sivut	74–88
ISBN (painettu)	9781566774551
Tila	Julkaistu - 2005
OKM-julkaisutyyppi	A4 Artikkeli konferenssijulkaisuussa
Tapahtuma	conference - Kesto: 1 tammik. 2010 → …

Konferenssi

Konferenssi	conference
Ajanjakso	01/01/10 → …

Viittausmuodot

Eini, P., Ulla, K., Bergelin, M., Jari, K., Heikki, K., Terttu, P., & Matti, V. (2005). Comparison of modeling and experimental results of modified Pt-based PEMFC cathode-catalysts. teoksessa Murthy, Fuller, V. Zee, & Gottesfeld (Toimittajat), Proton Conducting Membrane Fuel Cells III : proceedings of the International Symposium (Sivut 74–88). The Electrochemical Society.

@inproceedings{d0f01b6cd338424aa0e6a259c7b07239,

title = "Comparison of modeling and experimental results of modified Pt-based PEMFC cathode-catalysts",

abstract = "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.",

author = "Puhakka Eini and Koponen Ulla and Mikael Bergelin and Keskinen Jari and Kumpulainen Heikki and Peltonen Terttu and Valkiainen Matti",

year = "2005",

language = "Odefinierat/ok{\"a}nt",

isbn = "9781566774551",

pages = "74–88",

editor = "Murthy and Fuller and Van Zee and Gottesfeld",

booktitle = "Proton Conducting Membrane Fuel Cells III : proceedings of the International Symposium",

publisher = "The Electrochemical Society",

note = "conference ; Conference date: 01-01-2010",

}

Eini, P, Ulla, K, Bergelin, M, Jari, K, Heikki, K, Terttu, P & Matti, V 2005, Comparison of modeling and experimental results of modified Pt-based PEMFC cathode-catalysts. julkaisussa Murthy, Fuller, V Zee & Gottesfeld (toim), Proton Conducting Membrane Fuel Cells III : proceedings of the International Symposium. The Electrochemical Society, Sivut 74–88, conference, 01/01/10.

Comparison of modeling and experimental results of modified Pt-based PEMFC cathode-catalysts. / Eini, Puhakka; Ulla, Koponen; Bergelin, Mikael et al.
Proton Conducting Membrane Fuel Cells III : proceedings of the International Symposium. toim. / Murthy; Fuller; Van Zee; Gottesfeld. The Electrochemical Society, 2005. s. 74–88.

Tutkimustuotos: Artikkeli kirjassa/raportissa/konferenssijulkaisussa › Konferenssiartikkeli › Tieteellinen › vertaisarvioitu

TY - GEN

T1 - Comparison of modeling and experimental results of modified Pt-based PEMFC cathode-catalysts

AU - Eini, Puhakka

AU - Ulla, Koponen

AU - Bergelin, Mikael

AU - Jari, Keskinen

AU - Heikki, Kumpulainen

AU - Terttu, Peltonen

AU - Matti, Valkiainen

PY - 2005

Y1 - 2005

N2 - 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.

AB - 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.

M3 - Konferensbidrag

SN - 9781566774551

SP - 74

EP - 88

BT - Proton Conducting Membrane Fuel Cells III : proceedings of the International Symposium

A2 - Murthy, null

A2 - Fuller, null

A2 - Zee, Van

A2 - Gottesfeld, null

PB - The Electrochemical Society

T2 - conference

Y2 - 1 January 2010

ER -

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

Abstrakti

Konferenssi

Viittausmuodot

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