Mixed-metal Pt monolayer electrocatalysts for enhanced oxygen reduction kinetics

Journal of the American Chemical Society

Volumn 127, Issue 36, 2005, Pages 12480-12481

  Zhang, Junliang ^a   Vukmirovic, Miomir B ^a   Sasaki, Kotaro ^a   Nilekar, Anand Udaykumar ^b   Mavrikakis, Manos ^b   Adzic, Radoslav R ^a  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

^b University of Wisconsin Madison   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

METAL COMPLEX; NANOPARTICLE; OSMIUM; OXYGEN; PALLADIUM; PLATINUM; RHENIUM; RHODIUM; RUTHENIUM; SILVER;

ARTICLE; CATALYSIS; KINETICS; MOLECULAR MODEL; OXIDATION REDUCTION REACTION; REACTION ANALYSIS;

CATALYSIS; ELECTROCHEMISTRY; KINETICS; OXIDATION-REDUCTION; OXYGEN; PALLADIUM; PLATINUM; SURFACE PROPERTIES;

EID: 24744432061     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja053695i     Document Type: Article

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14. Convergence of the results with respect to various calculation parameters was verified in all cases. The Pt-M monolayer surfaces were modeled by a single layer of Pt-M placed on top of Pd(111). The calculated equilibrium PW91 lattice constants for bulk Pt and Pd were 4.00 and 3.99 A, respectively, in good agreement with the corresponding experimental values (3.92, 3.89 A) (ref 15). Each surface was constructed from a (2 × 2) unit cell and modeled by a slab consisting of four layers of metal atoms. The top two layers were allowed to relax.
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