Design of ORR nanocatalyst with high mass activity and stability

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Proceedings titlePolymer Electrolyte Fuel Cells 11
ECS Transactions
Conference11th Polymer Electrolyte Fuel Cell Symposium, PEFC 11 - 220th ECS Meeting, October 9-14, 2011, Boston, MA, USA
Pages971974; # of pages: 4
SubjectExperimental data; Interaction potentials; Mass activity; Model transition; Molecular dynamics simulations; Nano-catalyst; Oxygen reduction reaction; PEM fuel cell cathodes; Pt-based catalyst; Rational design; Carbon; Catalysts; Electrolytic reduction; Molecular dynamics; Optimization; Platinum; Platinum alloys; Polyelectrolytes; Transition metals; Proton exchange membrane fuel cells (PEMFC)
AbstractWe model the properties and formation of Pt-based catalyst on carbon and non-carbon support, as well as the processes occurring on the PEM Fuel Cell cathode. The target is to self-consistently optimize the catalyst-support system for the mass activity of the oxygen reduction reaction (ORR) in PEM FC. The doping of Pt-alloy catalyst and its interaction with support can dramatically affect the activity and durability of the system. Understanding of the physics and chemistry of this system is crucial for rational design of new catalyst for PEM FC. We use molecular mechanics and molecular dynamics simulations with the Sutton-Chen interaction potentials optimized to model transition metal clusters. The results of calculations agree with experimental data. © 2011 ECS - The Electrochemical Society.
Publication date
AffiliationNational Research Council Canada (NRC-CNRC); National Institute for Nanotechnology
Peer reviewedYes
NPARC number21271941
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Record identifier534b0de9-1a0e-4790-b330-a1ba3a0b1bc5
Record created2014-05-13
Record modified2016-05-09
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