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Efficient amorphous platinum catalyst cluster growth on porous carbon: A combined molecular dynamics and experimental study

Paper ID Volume ID Publish Year Pages File Format Full-Text
45617 46418 2015 6 PDF Available
Title
Efficient amorphous platinum catalyst cluster growth on porous carbon: A combined molecular dynamics and experimental study
Abstract

•Molecular dynamics simulations of Pt growth on a realistic porous carbon substrate.•Amorphous Pt cluster growth with high catalytic efficiency at very low loading.•Pt clusters wetting the surface and fitting closely the surface morphology.•Successful comparison between experiments and molecular dynamics simulations.

Amorphous platinum clusters supported on porous carbon have been envisaged for high-performance fuel cell electrodes. For this application, it is crucial to control the morphology of the Pt layer and the Pt–substrate interaction to maximize activity and stability. We thus investigate the morphology evolution during Pt cluster growth on a porous carbon substrate employing atomic scale molecular dynamics simulations. The simulations are based on the Pt-C interaction potential using parameters derived from density functional theory and are found to yield a Pt cluster morphology similar to that observed in low loaded fuel cell electrodes prepared by plasma sputtering. Moreover, the simulations show amorphous Pt cluster growth in agreement with X-ray diffraction and transmission electron microscopy experiments on high performance low Pt content (10 μgPt cm−2) loaded fuel cell electrodes and provide a fundamental insight in the cluster growth mechanism.

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Keywords
Molecular dynamics; Plasma sputtering deposition; Cluster growth; Pt catalyst; Fuel cell electrodes
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Efficient amorphous platinum catalyst cluster growth on porous carbon: A combined molecular dynamics and experimental study
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Publisher
Database: Elsevier - ScienceDirect
Journal: Applied Catalysis B: Environmental - Volume 162, January 2015, Pages 21–26
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us