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

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorNikunen, P.
dc.contributor.authorVattulainen, Ilpo
dc.contributor.authorAla-Nissilä, Tapio
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.departmentTeknillisen fysiikan laitosfi
dc.contributor.schoolPerustieteiden korkeakoulufi
dc.contributor.schoolSchool of Scienceen
dc.date.accessioned2015-04-21T09:01:18Z
dc.date.available2015-04-21T09:01:18Z
dc.date.issued2002
dc.description.abstractWe 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.description.versionPeer revieweden
dc.format.extent6757-6765
dc.format.mimetypeapplication/pdfen
dc.identifier.citationNikunen, 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.doi10.1063/1.1505856
dc.identifier.issn1089-7690 (electronic)
dc.identifier.issn0021-9606 (printed)
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/15714
dc.identifier.urnURN:NBN:fi:aalto-201504212375
dc.language.isoenen
dc.publisherAIP Publishingen
dc.relation.ispartofseriesThe Journal of Chemical Physicsen
dc.relation.ispartofseriesVolume 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/jcpen
dc.rights.holderAmerican Institute of Physics
dc.subject.keyworddiffusionen
dc.subject.keywordimpurity diffusionen
dc.subject.keywordsurface impurity levelsen
dc.subject.keywordimpurity concentrationen
dc.subject.keywordadsorbatesen
dc.subject.otherPhysicsen
dc.titleEffects of quenched impurities on surface diffusion, spreading and ordering of O/W(110)en
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.dcmitypetexten
dc.type.versionFinal published versionen
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