Simulation of kinetic oscillations in catalytic reactions accompanied by adsorbate-induced surface restructuring

We present Monte Carlo simulations of phase separation on the nanometer scale during kinetic oscillations in catalytic reactions accompanied by adsorbate-induced surface restructuring. As an example, we analyze the 2A+B 2→2AB reaction mimicking CO oxidation on noble metals. The lattice–gas model emp...

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Bibliographic Details
Published inSurface science Vol. 426; no. 3; pp. 345 - 357
Main Author Zhdanov, V.P.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 20.05.1999
Subjects
Computer simulations
Models of surface chemical reactions
Surface reconstruction
Surface reconstruction
Computer simulations
Models of surface chemical reactions
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Summary:We present Monte Carlo simulations of phase separation on the nanometer scale during kinetic oscillations in catalytic reactions accompanied by adsorbate-induced surface restructuring. As an example, we analyze the 2A+B 2→2AB reaction mimicking CO oxidation on noble metals. The lattice–gas model employed to describe surface restructuring and the reaction steps takes into account substrate–substrate, substrate–adsorbate and adsorbate–adsorbate lateral interactions and predicts the formation of restructured islands even at low A coverages [as in the case of CO adsorption on Pt(100)].
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0039-6028
1879-2758
DOI:10.1016/S0039-6028(99)00328-3