Oxygen adsorption and surface segregation in (211) surfaces of Pt(shell)/M(core) and Pt3M (M = Co, Ir) alloys Academic Article

abstract

• 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.

authors

• Balbuena, Perla

published proceedings

• SURFACE SCIENCE

altmetric score

• 3

author list (cited authors)

• Callejas-Tovar, R., & Balbuena, P. B.

citation count

• 34

complete list of authors

• Callejas-Tovar, Rafael||Balbuena, Perla B

publication date

• January 1, 2008 11:11 AM

publisher

• Elsevier  Publisher
• Elsevier BV  Publisher

published in

• Surface Science  Journal

keywords

• Density Functional Calculations
• Near Surface Alloys
• Oxygen Adsorption
• Stepped Surfaces
• Surface Segregation

Digital Object Identifier (DOI)

• 10.1016/j.susc.2008.09.023

start page

• 3531

end page

• 3539

issue

• 22