Structural Transformations in Overlayer and Sticking Probability During Chemisorption: Oxygen on (100) Surface of Metals Full article
Conference |
Physical Methods for Catalytic Research at the Molecular Level: International memorial K.I. Zamaraev conference 28 Jun - 2 Jul 1999 , Novosibirsk |
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Journal |
Journal of Molecular Catalysis A: Chemical
ISSN: 1381-1169 |
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Output data | Year: 2000, Volume: 158, Number: 1, Pages: 367-372 Pages count : 6 DOI: 10.1016/S1381-1169(00)00106-0 | ||
Tags | Chemisorption, Computer simulations, Oxygen, Sticking probability, Surface Structures | ||
Authors |
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Affiliations |
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Funding (1)
1 | Russian Foundation for Basic Research | 99-03-32429 |
Abstract:
The effect of the formation of p(2×2) and c(2×2) adsorption structures on the O2 sticking probability was studied by the Monte Carlo simulation of the O2 chemisorption on a (100) metal surface. The model used in the simulation took into account the direct and indirect adsorption pathways and repulsive lateral interactions in the adsorption layer. The ratio between the activation energy of adsorption via the direct and indirect pathways (Edir/Eindir) determines the character of the structural transformations in the adsorption layer, which in turn determines the type of the S(θ) dependence. At Edir/Eindir<7–8, the direct pathway predominates over the indirect one. In this case, a lot of small adsorption islands nucleate to form a disordered p(2×2) and c(2×2) adsorption layers, i.e. Langmuir adsorption is observed, and S smoothly decreases with the θ growth. At Edir/Eindir>7–8, the indirect pathway predominates over the direct one. In this case, after slow nucleation, the adsorption islands grow quickly to form ordered p(2×2) and c(2×2) adsorption layers, i.e. the island-mediated adsorption is observed and S(θ) dependence passes over a maximum.
Cite:
Salanov A.N.
, Bibin V.N.
, Yakushko V.T.
Structural Transformations in Overlayer and Sticking Probability During Chemisorption: Oxygen on (100) Surface of Metals
Journal of Molecular Catalysis A: Chemical. 2000. V.158. N1. P.367-372. DOI: 10.1016/S1381-1169(00)00106-0 WOS Scopus РИНЦ
Structural Transformations in Overlayer and Sticking Probability During Chemisorption: Oxygen on (100) Surface of Metals
Journal of Molecular Catalysis A: Chemical. 2000. V.158. N1. P.367-372. DOI: 10.1016/S1381-1169(00)00106-0 WOS Scopus РИНЦ
Dates:
Published online: | Jul 18, 2000 |
Published print: | Sep 8, 2000 |
Identifiers:
Web of science | WOS:000089201200049 |
Scopus | 2-s2.0-0034623144 |
Elibrary | 13353142 |
Chemical Abstracts | 2000:498710 |
Chemical Abstracts (print) | 133:213670 |
OpenAlex | W2028098751 |