O Binding Sites on Stepped Pt(111) Surfaces

Journal Article · Sun Sep 01 00:00:00 EDT 1996 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.77.2257· OSTI ID:392677

Feibelman, P J; Esch, S; Michely, T ^[1]

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1. Sandia National Laboratories, Albuquerque, New Mexico 87185-1413 (United States)

First-principles calculations show that O adatoms are attracted to step edges on Pt(111), gaining 0.2 to 0.3eV per nearest neighbor step-edge Pt atom, and that they favor {open_quote}{open_quote}fcc-like{close_quote}{close_quote} over {open_quote}{open_quote}hcp-like{close_quote}{close_quote} sites by {approximately}0.4 eV. These preferences account for the different appearances, in scanning tunneling micrographs, of O-saturated, {ital A}- and {ital B}-type island edges on Pt(111). They imply that O binds in a three-fold, fcc hollow site behind a {ital B}step, while twofold edge bridging is favored for {ital A} steps. {copyright} {ital 1996 The American Physical Society.}

• Research Organization: Sandia National Laboratory
• DOE Contract Number: AC04-94AL85000
• OSTI ID: 392677
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 11 Vol. 77; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ADSORPTION
ALKYLATING AGENTS
BINDING ENERGY
CRYSTAL FACES
ELECTRON MICROSCOPY
OXYGEN
PLATINUM
SURFACE PROPERTIES