Oxygen adsorption and surface segregation in (211) surfaces of Pt(shell)/M(core) and Pt3M (M = Co, Ir) alloys
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Density functional theory is used to study oxygen adsorption and its effect on surface segregation in (2 1 1) surfaces of Pt(shell)/M(core) and Pt3M (M = Co, Ir) alloys. It is found that the most energetically favorable oxygen adsorption site is the bridge site over and parallel to the (1 0 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. 2008 Elsevier B.V. All rights reserved.
author list (cited authors)
Callejas-Tovar, R., & Balbuena, P. B.
complete list of authors
Callejas-Tovar, Rafael||Balbuena, Perla B