| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5424445 | Surface Science | 2008 | 9 Pages |
Abstract
Density functional theory is used to study oxygen adsorption and its effect on surface segregation in (2Â 1Â 1) surfaces of Pt(shell)/M(core) and Pt3M (MÂ =Â Co, Ir) alloys. It is found that the most energetically favorable oxygen adsorption site is the bridge site over and parallel to the (1Â 0Â 0) step. Surface segregation phenomena is observed in Pt3Co, Pt3Ir and Pt/Co(core) systems. The Pt/Ir(core) structure was the only one, among the studied systems, that showed antisegregation behavior even in presence of oxygen adsorbed.
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Authors
Rafael Callejas-Tovar, Perla B. Balbuena,