Strongly reshaped organic-metal interfaces: Tetracyanoethylene on Cu(100)

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dc.creatorBedwani, Stéphane
dc.creatorWegner, Daniel
dc.creatorCrommie, Michael F.
dc.creatorRochefort, Alain
dc.date2008-10-27
dc.date2008-10-27
dc.date.accessioned2026-07-07T10:19:59Z
dc.date.available2026-07-07T10:19:59Z
dc.descriptionThe interaction of the strong electron-acceptor tetracyanoethylene (TCNE) with the Cu(100) surface has been studied with scanning tunneling microscopy experiments and first-principles density functional theory calculations. We compare two different adsorption models with the experimental results and show that the molecular self-assembly is caused by a strong structural modification of the Cu(100) surface rather than the formation of a coordination network by diffusing Cu adatoms. Surface atoms become highly buckled and the chemisorption of TCNE is accompanied by a partial charge-transfer.
dc.description4 pages, 3 figures, to appear in Physical Review Letters
dc.identifierhttps://arxiv.org/abs/0810.4862
dc.identifierhttp://arxiv.org/abs/0810.4862
dc.identifierPhys. Rev. Lett. 101, 216105 (2008)
dc.identifierdoi:10.1103/PhysRevLett.101.216105
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/174710
dc.subjectMaterials Science
dc.titleStrongly reshaped organic-metal interfaces: Tetracyanoethylene on Cu(100)
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