Role of van der Waals forces in the adsorption and diffusion of organic molecules on an insulating surface

Simple item page
dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorPakarinen, O. H.
dc.contributor.authorMativetsky, J. M.
dc.contributor.authorGulans, A.
dc.contributor.authorPuska, Martti J.
dc.contributor.authorFoster, Adam S.
dc.contributor.authorGrutter, P.
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.departmentTeknillisen fysiikan laitosfi
dc.contributor.schoolPerustieteiden korkeakoulufi
dc.contributor.schoolSchool of Scienceen
dc.date.accessioned2015-08-10T09:01:21Z
dc.date.available2015-08-10T09:01:21Z
dc.date.issued2009
dc.description.abstractThe adsorption and diffusion of 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA) molecules on a nanostructured KBr (001) surface were investigated by combining noncontact atomic force microscopy (NC-AFM) and first-principles calculations. Atomically resolved measurements demonstrate trapping of PTCDA molecules in intentionally created rectangular monolayer-deep substrate pits and a preferential adsorption at kink sites. In order to understand the experimental results, we found that it was essential to include a first-principles treatment of the van der Waals interactions. We show that at some sites on the surface, 85% of the molecular binding is provided by van der Waals interactions, and in general it is always the dominant contribution to the adsorption energy. It also qualitatively changes molecular diffusion on the surface. Based on the specificity of the molecular interaction at kink sites, the species of the imaged ionic sublattice in the NC-AFM measurements could be identified.en
dc.description.versionPeer revieweden
dc.format.extent085401/1-5
dc.format.mimetypeapplication/pdfen
dc.identifier.citationPakarinen, O. H. & Mativetsky, J. M. & Gulans, A. & Puska, M. J. & Foster, Adam S. & Grutter, P.. 2009. Role of van der Waals forces in the adsorption and diffusion of organic molecules on an insulating surface. Physical Review B. Volume 80, Issue 8. 085401/1-5. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.80.085401.en
dc.identifier.doi10.1103/physrevb.80.085401
dc.identifier.issn1550-235X (electronic)
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/17343
dc.identifier.urnURN:NBN:fi:aalto-201508103966
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.ispartofseriesPhysical Review Ben
dc.relation.ispartofseriesVolume 80, Issue 8
dc.rights© 2009 American Physical Society (APS). This is the accepted version of the following article: Pakarinen, O. H. ; Mativetsky, J. M. ; Gulans, A. ; Puska, M. J. ; Foster, Adam S. ; Grutter, P.. 2009. Role of van der Waals forces in the adsorption and diffusion of organic molecules on an insulating surface. Physical Review B. Volume 80, Issue 8. 085401/1-5. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.80.085401, which has been published in final form at http://journals.aps.org/prb/pdf/10.1103/PhysRevB.80.085401.en
dc.rights.holderAmerican Physical Society (APS)
dc.subject.keywordadsorptionen
dc.subject.keywordatomic force microscopyen
dc.subject.keywordpotassium compoundsen
dc.subject.keywordsurface diffusionen
dc.subject.keywordvan der Waals forcesen
dc.subject.otherPhysicsen
dc.titleRole of van der Waals forces in the adsorption and diffusion of organic molecules on an insulating surfaceen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.dcmitypetexten
dc.type.versionFinal published versionen
Files
Original bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
A1_pakarinen_o_h_2009.pdf
Size:
613.97 KB
Format:
Adobe Portable Document Format
Download
Collections
[article] Perustieteiden korkeakoulu / SCI