Monte Carlo simulations of adsorption-induced segregation
2
Department of Chemistry and Applied Engineering Science Ålborg University, DK-6700 Esbjerg, Denmark
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Publication type: Journal Article
Publication date: 2002-05-01
scimago Q2
wos Q3
SJR: 0.419
CiteScore: 3.5
Impact factor: 1.8
ISSN: 00396028, 18792758
Materials Chemistry
Surfaces, Coatings and Films
Condensed Matter Physics
Surfaces and Interfaces
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.
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Total citations:
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Christoffersen E., Stoltze P., No̸rskov J. Monte Carlo simulations of adsorption-induced segregation // Surface Science. 2002. Vol. 505. pp. 200-214.
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Christoffersen E., Stoltze P., No̸rskov J. Monte Carlo simulations of adsorption-induced segregation // Surface Science. 2002. Vol. 505. pp. 200-214.
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TY - JOUR
DO - 10.1016/S0039-6028(02)01158-5
UR - https://doi.org/10.1016/S0039-6028(02)01158-5
TI - Monte Carlo simulations of adsorption-induced segregation
T2 - Surface Science
AU - Christoffersen, E.
AU - Stoltze, P.
AU - No̸rskov, Jens
PY - 2002
DA - 2002/05/01
PB - Elsevier
SP - 200-214
VL - 505
SN - 0039-6028
SN - 1879-2758
ER -
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@article{2002_Christoffersen,
author = {E. Christoffersen and P. Stoltze and Jens No̸rskov},
title = {Monte Carlo simulations of adsorption-induced segregation},
journal = {Surface Science},
year = {2002},
volume = {505},
publisher = {Elsevier},
month = {may},
url = {https://doi.org/10.1016/S0039-6028(02)01158-5},
pages = {200--214},
doi = {10.1016/S0039-6028(02)01158-5}
}