Efficient amorphous platinum catalyst cluster growth on porous carbon: A combined Molecular Dynamics and experimental studyReport as inadecuate




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1 GREMI - Groupe de recherches sur l-énergétique des milieux ionisés 2 IC2MP - Institut de Chimie des Milieux et Matériaux de Poitiers 3 Department of Chemistry

Abstract : 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 Transmisson Electron Microscopy experiments on high performance low Pt content 10µgPt cm-2 loaded fuel cell electrodes and provide a fundamental insight in the cluster growth mechanism.

Keywords : Molecular dynamics Plasma sputtering deposition Cluster growth Pt catalyst Fuel cell electrodes





Author: Lu Xie - Pascal Brault - Christophe Coutanceau - Jean-Marc Bauchire - Amaël Caillard - Steve Baranton - Johannes Berndt - Erik N

Source: https://hal.archives-ouvertes.fr/



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