title: Design of Pt-shell nanoparticles with alloy cores for the oxygen reduction reaction.
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.
authors.affiliation: 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.
authors.forename: Liang
authors.initials: L
authors.lastname: Zhang
authors.forename: Ravikumar
authors.initials: R
authors.lastname: Iyyamperumal
authors.forename: David F
authors.initials: DF
authors.lastname: Yancey
authors.forename: Richard M
authors.initials: RM
authors.lastname: Crooks
authors.forename: Graeme
authors.initials: G
authors.lastname: Henkelman