journal article·2013-10-22

Design of Pt-Shell Nanoparticles with Alloy Cores for the Oxygen Reduction Reaction

Liang Zhang, Ravikumar Iyyamperumal, David F. Yancey, Richard M. Crooks, Graeme Henkelman

ACS Nano· Volume 7· Issue 10
Publisher page

Abstract

We report that the oxygen binding energy of alloy-core@Pt nanoparticles can be linearly tuned by varying the alloy-core composition. Using this tuning mechanism, we are able to predict optimal compositions for different alloy-core@Pt nanoparticles. Subsequent electrochemical measurements of ORR activities of AuPd@Pt dendrimer-encapsulated nanoparticles (DENs) are in a good agreement with the theoretical prediction that the peak of activity is achieved for a 28% Au/72% Pd alloy core supporting a Pt shell. Importantly, these findings represent an unusual case of first-principles theory leading to nearly perfect agreement with experimental results.
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Research context

OpenAlex topics: Electrocatalysts for Energy Conversion · Fuel Cells and Related Materials · Electrochemical Analysis and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemistry and Biochemistry, ‡Texas Materials Institute, and §Institute for Computational and Engineering Sciences, The University of Texas at Austin, 105 E. 24th Street, Stop A5300, Austin, Texas 78712-1224, United States

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