| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Puhakka, Eini
Savonia University of Applied Sciences
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (9/9 displayed)
- 2017Effect of layer charge on the crystalline swelling of Na+, K+ and Ca2+ montmorillonites : DFT and molecular dynamics studiescitations
- 2016Effect of layer charge on the crystalline swelling of Na+, K+ and Ca2+ montmorillonites: DFT and molecular dynamics studiescitations
- 2015Combining a molecular modelling approach with direct current and high power impulse magnetron sputtering to develop new TiO2 thin films for antifouling applicationscitations
- 2013Controlling the bulk and surface properties of TiOx coatings synthesized by High Power Impulse Magnetron Sputtering (Hi-PIMS) for antifouling applications
- 2011Density functional theory studies on the formation of CaCO 3 depositions on cristobalite, diamond, and titanium carbide surfacescitations
- 2011Density Functional Theory Studies on the Formation of CaCO3 Depositions on Cristobalite, Diamond, and Titanium Carbide Surfacescitations
- 2005Comparison of modeling and experimental results of modified Pt-based PEMFC cathode-catalysts
- 2003Adsorption studies on iron oxides with reference to the oxide films formed on material surfaces in nuclear power plants
- 2002Comparison of modeling and experimental results of modified Pt-based PEMFC cathode-catalysts
Places of action
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document
Comparison of modeling and experimental results of modified Pt-based PEMFC cathode-catalysts
Abstract
<p>Pt-based binary and ternary alloy catalysts were investigated by modeling methods and experimentally. The lattice parameters Of Pt, Pt3Cr, Pt3CO, Pt3Ir, Pt2CoCr, Pt2CoIr, Pt2Cr2 and Pt2Co2 were determined by molecular modeling methods. According to the optimized structures, the most typical crystal faces were generated. In order to get a good description of sterical 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 commercial (E-TEK) and laboratory-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 laboratory-made catalysts were also characterized by XRD, TEM and STEM/EDS.</p>