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Effects of quenched impurities on surface diffusion, spreading and ordering of O/W(110)

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Nikunen, P.
dc.contributor.author Vattulainen, Ilpo
dc.contributor.author Ala-Nissilä, Tapio
dc.date.accessioned 2015-04-21T09:01:18Z
dc.date.available 2015-04-21T09:01:18Z
dc.date.issued 2002
dc.identifier.citation Nikunen, P. & Vattulainen, I. & Ala-Nissilä, Tapio. 2002. Effects of quenched impurities on surface diffusion, spreading and ordering of O/W(110). The Journal of Chemical Physics. Volume 117, Issue 14. P. 6757-6765. ISSN 1089-7690 (electronic). ISSN 0021-9606 (printed). DOI: 10.1063/1.1505856. en
dc.identifier.issn 1089-7690 (electronic)
dc.identifier.issn 0021-9606 (printed)
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/15714
dc.description.abstract We study how quenched impurities affect the surfacediffusion and ordering of strongly interactingadsorbate atoms on surfaces. To this end, we carry out Monte Carlo simulations for a lattice-gas model of O/W(110), including small concentrations of immobile impurities which block their adsorption sites. We examine the behavior of the diffusion coefficients and order parameters as a function of coverage corresponding to various ordered phases at low temperatures. The effects of impurities are examined under both equilibrium and nonequilibrium conditions, and the results are compared to recent studies on a completely clean surface. We find that even minute impurity concentrations affect the diffusion behavior considerably in equilibrium. The effects are strongest in ordered phases and close to phase boundaries, where quenched impurities lead to a reduction of order, which in turn leads to significant changes in the collective diffusion and phase behavior. As the impurity concentration is increased to a level of a few percent of the total surface area, the reduction in order becomes particularly prominent at high coverages. Further studies under nonequilibrium conditions reveal that nonequilibrium effects are strong in the absence of impurities, while for surfaces covered by impurities the nonequilibrium effects are relatively weaker. en
dc.format.extent 6757-6765
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher AIP Publishing en
dc.relation.ispartofseries The Journal of Chemical Physics en
dc.relation.ispartofseries Volume 117, Issue 14
dc.rights © 2002 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. http://scitation.aip.org/content/aip/journal/jcp en
dc.subject.other Physics en
dc.title Effects of quenched impurities on surface diffusion, spreading and ordering of O/W(110) en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.rights.holder American Institute of Physics
dc.contributor.school Perustieteiden korkeakoulu fi
dc.contributor.school School of Science en
dc.contributor.department Department of Applied Physics en
dc.contributor.department Teknillisen fysiikan laitos fi
dc.subject.keyword diffusion en
dc.subject.keyword impurity diffusion en
dc.subject.keyword surface impurity levels en
dc.subject.keyword impurity concentration en
dc.subject.keyword adsorbates en
dc.identifier.urn URN:NBN:fi:aalto-201504212375
dc.type.dcmitype text en
dc.identifier.doi 10.1063/1.1505856
dc.type.version Final published version en

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