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dc.contributor.authorKuhness, David
dc.contributor.authorPal, Jagriti
dc.contributor.authorYang, Hyun Jin
dc.contributor.authorMammen, Nisha
dc.contributor.authorHonkala, Karoliina
dc.contributor.authorHäkkinen, Hannu
dc.contributor.authorSchneider, Wolf-Dieter
dc.contributor.authorHeyde, Markus
dc.contributor.authorFreund, Hans-Joachim
dc.date.accessioned2020-07-01T10:14:04Z
dc.date.available2020-07-01T10:14:04Z
dc.date.issued2020
dc.identifier.citationKuhness, D., Pal, J., Yang, H. J., Mammen, N., Honkala, K., Häkkinen, H., Schneider, W.-D., Heyde, M., & Freund, H.-J. (2020). Binding Behavior of Carbonmonoxide to Gold Atoms on Ag(001). <i>Topics in Catalysis</i>, <i>63</i>(15-18), 1578-1584. <a href="https://doi.org/10.1007/s11244-020-01290-3" target="_blank">https://doi.org/10.1007/s11244-020-01290-3</a>
dc.identifier.otherCONVID_36022740
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/71009
dc.description.abstractThe adsorption behavior of single CO molecules at 4 K bound to Au adatoms on a Ag(001) metal surface is studied with scanning tunneling microscopy (STM) and inelastic electron tunneling spectroscopy (IETS). In contrast to earlier observations two different binding configurations are observed—one on top of a Au adatom and the other one adsorbed laterally to Au on Ag(001). Moreover, IETS reveals different low-energy vibrational energies for the two binding sites as compared to the one for a single CO molecule bound to Ag(001). Density functional theory (DFT) calculations of the adsorption energies, the diffusion barriers, and the vibrational frequencies of the CO molecule on the different binding sites rationalize the experimental findings.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherSpringer
dc.relation.ispartofseriesTopics in Catalysis
dc.rightsCC BY 4.0
dc.subject.otherCO
dc.subject.otherAu
dc.subject.otherAg(001)
dc.subject.otheradsorption
dc.titleBinding Behavior of Carbonmonoxide to Gold Atoms on Ag(001)
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202007015192
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineFysikaalinen kemiafi
dc.contributor.oppiainePhysical Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.format.pagerange1578-1584
dc.relation.issn1022-5528
dc.relation.numberinseries15-18
dc.relation.volume63
dc.type.versionpublishedVersion
dc.rights.copyright© The Author(s) 2020
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber277222
dc.relation.grantnumber319208
dc.subject.ysokulta
dc.subject.ysoadsorptio
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p19016
jyx.subject.urihttp://www.yso.fi/onto/yso/p13395
dc.rights.urlhttps://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.1007/s11244-020-01290-3
dc.relation.funderResearch Council of Finlanden
dc.relation.funderResearch Council of Finlanden
dc.relation.funderSuomen Akatemiafi
dc.relation.funderSuomen Akatemiafi
jyx.fundingprogramAcademy Project, AoFen
jyx.fundingprogramResearch costs of Academy Professor, AoFen
jyx.fundingprogramAkatemiahanke, SAfi
jyx.fundingprogramAkatemiaprofessorin tutkimuskulut, SAfi
jyx.fundinginformationOpen access funding provided by Projekt DEAL. The theoretical work was supported by the Academy of Finland through Projects 319208 (H.H.) and 277222 (K.H.). Computations were made at the Barcelona Supercomputing Center as part of a PRACE Project 2018194723 and at the JYU Node of the FGCI Infrastructure (Persistent Identifier urn:nbn:fi:research-infras-2016072533).
dc.type.okmA1


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