How the Support Defines Properties of 2D Metal-Organic Frameworks: Fe-TCNQ on Graphene versus Au(111)

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dc.contributor.authorJakub, Zdeněkcs
dc.contributor.authorTrllová Shahsavar, Azincs
dc.contributor.authorPlaner, Jakubcs
dc.contributor.authorHrůza, Dominikcs
dc.contributor.authorHerich, Ondrejcs
dc.contributor.authorProcházka, Pavelcs
dc.contributor.authorČechal, Jancs
dc.coverage.issue5cs
dc.coverage.volume146cs
dc.date.issued2024-01-22cs
dc.description.abstractThe functionality of 2D metal-organic frameworks (MOFs) is crucially dependent on the local environment of the embedded metal atoms. These atomic-scale details are best ascertained on MOFs supported on well-defined surfaces, but the interaction with the support often changes the MOF properties. We elucidate the extent of this effect by comparing the Fe-TCNQ 2D MOF on two weakly interacting supports: graphene and Au(111). We show that the Fe-TCNQ on graphene is nonplanar with iron in quasi-tetrahedral sites, but on Au(111) it is planarized by stronger van der Waals interaction. The differences in physical and electronic structures result in distinct properties of the supported 2D MOFs. The d (2 )(z )center position is shifted by 1.4 eV between Fe sites on the two supports, and dramatic differences in chemical reactivity are experimentally identified using a TCNQ probe molecule. These results outline the limitations of common on-surface approaches using metal supports and show that the intrinsic MOF properties can be partially retained on graphene.en
dc.formattextcs
dc.format.extent3471-3482cs
dc.format.mimetypeapplication/pdfcs
dc.identifier.citationJournal of the American Chemical Society. 2024, vol. 146, issue 5, p. 3471-3482.en
dc.identifier.doi10.1021/jacs.3c13212cs
dc.identifier.issn1520-5126cs
dc.identifier.orcid0000-0001-9538-9087cs
dc.identifier.orcid0000-0001-7120-7488cs
dc.identifier.orcid0009-0006-5439-1117cs
dc.identifier.orcid0000-0002-4727-4776cs
dc.identifier.orcid0000-0003-4745-8441cs
dc.identifier.other188698cs
dc.identifier.researcheridAAW-8780-2020cs
dc.identifier.researcheridJ-5596-2014cs
dc.identifier.researcheridKBR-1105-2024cs
dc.identifier.researcheridG-3038-2018cs
dc.identifier.researcheridD-6994-2012cs
dc.identifier.scopus57070117100cs
dc.identifier.scopus55710905700cs
dc.identifier.urihttp://hdl.handle.net/11012/245710
dc.language.isoencs
dc.publisherAmerican Chemical Societycs
dc.relation.ispartofJournal of the American Chemical Societycs
dc.relation.urihttps://pubs.acs.org/doi/10.1021/jacs.3c13212cs
dc.rightsCreative Commons Attribution 4.0 Internationalcs
dc.rights.accessopenAccesscs
dc.rights.sherpahttp://www.sherpa.ac.uk/romeo/issn/1520-5126/cs
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/cs
dc.subjectChemical structureen
dc.subjectMetal organic frameworksen
dc.subjectScanning tunneling microscopyen
dc.subjectTwo dimensional materialsen
dc.subjectWork functionen
dc.titleHow the Support Defines Properties of 2D Metal-Organic Frameworks: Fe-TCNQ on Graphene versus Au(111)en
dc.type.driverarticleen
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen
sync.item.dbidVAV-188698en
sync.item.dbtypeVAVen
sync.item.insts2025.04.10 11:56:43en
sync.item.modts2025.04.10 11:33:50en
thesis.grantorVysoké učení technické v Brně. Středoevropský technologický institut VUT. Molekulární nanostruktury na površíchcs
thesis.grantorVysoké učení technické v Brně. Fakulta strojního inženýrství. Ústav fyzikálního inženýrstvícs
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