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dc.contributor.authorTreanor, Michael-John
dc.contributor.authorGarrido Torres, Jose Antonio
dc.contributor.authorBromley, Catherine J.
dc.contributor.authorFruchtl, Herbert A
dc.contributor.authorSchaub, Renald
dc.date.accessioned2019-05-06T23:37:25Z
dc.date.available2019-05-06T23:37:25Z
dc.date.issued2018-06-07
dc.identifier.citationTreanor , M-J , Garrido Torres , J A , Bromley , C J , Fruchtl , H A & Schaub , R 2018 , ' Benzene adsorption on Rh(111) : a new perspective on intermolecular interactions and molecular ordering ' , Journal of Physical Chemistry C , vol. 122 , no. 22 , pp. 11890-11904 . https://doi.org/10.1021/acs.jpcc.8b02798en
dc.identifier.issn1932-7447
dc.identifier.otherPURE: 253076556
dc.identifier.otherPURE UUID: e7263eff-4e0a-4884-a232-34c00519ce8a
dc.identifier.otherRIS: urn:02A2A7C0A9B07C6D9310464BF4223EE2
dc.identifier.otherScopus: 85046767739
dc.identifier.otherWOS: 000435020300032
dc.identifier.otherORCID: /0000-0001-6647-4266/work/60887502
dc.identifier.urihttp://hdl.handle.net/10023/17651
dc.descriptionThe authors acknowledge financial support from the Scottish Funding Council (through EaStCHEM and SRD-Grant HR07003) and from EPSRC (PhD studentships for JAGT − EP/M506631/1, and MJT − EP/K503162/1).en
dc.description.abstractThe adsorption of benzene on the Rh(111) substrate was investigated through scanning tunneling microscopy (STM) imaging and density functional theory (DFT) calculations. Experiments were carried out at various surface coverages, with the amount of benzene adsorbed determined to influence the molecular adsorption site, the intermolecular interactions, and the interaction between the molecule and the substrate. At a sub-monolayer coverage of the surface, the molecules are disordered and kept apart by a strong inter-adsorbate repulsion, with a preference for the molecule to adsorb on a three-fold hcp hollow site. At high coverage, the preferred adsorption site becomes the two-fold symmetric bridge site, whether as part of the two dense ordered structures that form at high coverage ((2√3×3)rect or (√19×√19)R23.4°) or as part of the disordered array of benzene molecules, which are arranged in formations which resemble the “building blocks” of the ordered overlayers. Despite the adsorption energy for benzene within both dense structures being similar, the (√19×√19)R23.4° overlayer is only observed if the substrate is annealed to 363 K during or after deposition, indicating that the formation of the (√19×√19)R23.4° ordering is inhibited by an activation barrier at lower temperatures and can only be overcome by increasing the temperature of the Rh(111) support.
dc.language.isoeng
dc.relation.ispartofJournal of Physical Chemistry Cen
dc.rightsCopyright © 2018 American Chemical Society. This work has been made available online in accordance with the publisher’s policies. This is the author created accepted version manuscript following peer review and as such may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1021/acs.jpcc.8b02798en
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titleBenzene adsorption on Rh(111) : a new perspective on intermolecular interactions and molecular orderingen
dc.typeJournal articleen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.identifier.doihttps://doi.org/10.1021/acs.jpcc.8b02798
dc.description.statusPeer revieweden
dc.date.embargoedUntil2019-05-07


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