Title of article
Monte Carlo simulations of adsorption-induced segregation
Author/Authors
Christoffersen، نويسنده , , E. and Stoltze، نويسنده , , P. and Nّrskov، نويسنده , , J.K.، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2002
Pages
15
From page
200
To page
214
Abstract
Through the use of Monte Carlo simulations we study the effect of adsorption-induced segregation. From the bulk composition, degree of dispersion and the partial pressure of the gas phase species we calculate the surface composition of bimetallic alloys. We show that both segregation and adsorption are well-described within the method. It is shown that adsorption of CO and O2 on a PtRu alloy increases the concentration of Ru in the surface. Furthermore we present a database of CO adsorption energies collected from the literature.
Keywords
Monte Carlo simulations , Adsorption kinetics , Alloys , surface segregation
Journal title
Surface Science
Serial Year
2002
Journal title
Surface Science
Record number
1694034
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