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Journal of Chemical Physics / Volume 128 / Issue 20 / ARTICLES / Surfaces, Interfaces, and Materials

J. Chem. Phys. 128, 204701 (2008); http://dx.doi.org/10.1063/1.2908824 (11 pages)

Local reactivity of O2 with Pt3 on Co3Pt and related backgrounds

Juan C. Sotelo1 and Jorge M. Seminario1,2

1Department of Chemical Engineering, Texas A&M University, College Station, Texas 77843, USA
2Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas 77843, USA

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(Received 18 February 2008; accepted 21 March 2008; published online 27 May 2008)

We study the local reactivity of molecular oxygen with bimetallic substrates of a platinum trimer island supported on nanotips of CoPt, Pt, Co, Ni, and Fe. Because of the reduced interatomic distances and varying interaction strengths with the substrates, the supported island interaction with oxygen can be tuned from stronger to weaker relative to the interaction of a freestanding island with oxygen despite that there is no well-behaved trend with the binding energy of the island to the substrates.

© 2008 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. METHODOLOGY
  3. RESULTS AND DISCUSSION
    1. Clusters and complexes calculations
    2. DOS of bulk Co, Pt, Co3Pt , Ni, and Fe
    3. Reactive sites
    4. Electronic characterization (local DOS)
    5. Local reactivity of supported Pt3 : Electronic characterization
  4. CONCLUSIONS

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KEYWORDS and PACS

Keywords

adsorption, binding energy, catalysts, chemical reactions, cobalt alloys, iron alloys, island structure, metal clusters, nanostructured materials, nickel alloys, platinum, platinum alloys

PACS

  • 82.65.+r

    Surface and interface chemistry; heterogeneous catalysis at surfaces

  • 61.46.Bc

    Structure of clusters (e.g., metcars; not fragments of crystals; free or loosely aggregated or loosely attached to a substrate)

  • 68.43.Fg

    Adsorbate structure (binding sites, geometry)

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.2908824

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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