Surface segregation of core atoms in core-shell structures Academic Article

abstract

• Density functional theory is used to calculate surface segregation tendencies of iridium atoms in Ir (core)-Pt (shell) systems with various shell thicknesses, on clean surfaces and under 1/4 monolayer of atomic oxygen adsorbed on fcc and hcp sites of (1 1 1) surfaces. Iridium shows strong antisegregation behavior in clean surfaces, but the behavior reverts dramatically in the presence of adsorbed oxygen. On Pt-skin surfaces, where the oxygen adsorption is the weakest, monolayers have better protective effect against segregation of the less noble metal, and the effect decreases as the number of layers in the shell increases. 2008 Elsevier B.V. All rights reserved.

authors

• Balbuena, Perla

published proceedings

• CHEMICAL PHYSICS LETTERS

altmetric score

• 3

author list (cited authors)

• Ramirez-Caballero, G. E., & Balbuena, P. B.

citation count

• 36

complete list of authors

• Ramirez-Caballero, Gustavo E||Balbuena, Perla B

publication date

• January 2008

publisher

• Elsevier  Publisher

published in

• CHEMICAL PHYSICS LETTERS  Journal

Digital Object Identifier (DOI)

• 10.1016/j.cplett.2008.03.008

start page

• 64

end page

• 67

volume

• 456

issue

• 1-3

URL

• http://dx.doi.org/10.1016/j.cplett.2008.03.008