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

Research output: Chapter in Book/Conference proceeding › Conference contribution › Scientific › peer-review

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.

Original language	Undefined/Unknown
Title of host publication	Proton Conducting Membrane Fuel Cells III : proceedings of the International Symposium
Editors	Murthy, Fuller, Van Zee, Gottesfeld
Publisher	The Electrochemical Society
Pages	74–88
ISBN (Print)	9781566774551
Publication status	Published - 2005
MoE publication type	A4 Article in a conference publication
Event	conference - Duration: 1 Jan 2010 → …

Conference

Conference	conference
Period	01/01/10 → …

Cite this

@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. in Murthy, Fuller, V Zee & Gottesfeld (eds), Proton Conducting Membrane Fuel Cells III : proceedings of the International Symposium. The Electrochemical Society, pp. 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. ed. / Murthy; Fuller; Van Zee; Gottesfeld. The Electrochemical Society, 2005. p. 74–88.

Research output: Chapter in Book/Conference proceeding › Conference contribution › Scientific › peer-review

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

Abstract

Conference

Cite this

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