Influence of steps on the tilting and adsorption dynamics of ordered pentacene films on vicinal Ag(111) surfaces

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dc.contributor.author Ellialtıoğlu, Şinasi
dc.contributor.author Mete, Ersen
dc.contributor.author Demiroǧlu, İlker
dc.contributor.author Albayrak, Erol
dc.contributor.author Bracco, Gianangelo
dc.contributor.author Danışman, Mehmet Fatih
dc.date.accessioned 2021-02-01T14:17:39Z
dc.date.available 2021-02-01T14:17:39Z
dc.date.issued 2020
dc.identifier.issn 1932-7447
dc.identifier.uri https://doi.org/10.1021/jp306463w
dc.identifier.uri http://hdl.handle.net/20.500.12485/753
dc.description.abstract Here we present a structural study of pentacene (Pn) thin films on vicinal Ag(111) surfaces by He atom diffraction measurements and density functional theory (DFT) calculations supplemented with van der Waals (vdW) interactions. Our He atom diffraction results suggest initial adsorption at the step edges evidenced by initial slow specular reflection intensity decay rate as a function of Pn deposition time. In parallel with the experimental findings, our DFT+vdW calculations predict the step edges as the most stable adsorption site on the surface. An isolated molecule adsorbs as tilted on the step edge with a binding energy of 1.4 eV. In addition, a complete monolayer (ML) with pentacenes flat on the terraces and tilted only at the step edges is found to be more stable than one with all lying flat or tilted molecules, which in turn influences multilayers. Hence our results suggest that step edges can trap Pn molecules and act as nucleation sites for the growth of ordered thin films with a crystal structure similar to that of bulk Pn. en_US
dc.language.iso en en_US
dc.subject Adsorption en_US
dc.subject Binding energy en_US
dc.subject Decay (organic) en_US
dc.subject Density functional theory en_US
dc.subject Diffraction en_US
dc.subject Film preparation en_US
dc.subject Molecules en_US
dc.subject Monolayers en_US
dc.subject Semiconducting organic compounds en_US
dc.subject Thin filmsVan der Waals forces en_US
dc.subject Vapor deposition en_US
dc.title Influence of steps on the tilting and adsorption dynamics of ordered pentacene films on vicinal Ag(111) surfaces en_US
dc.type Article en_US
dc.relation.journal Journal of Physical Chemistry C en_US
dc.identifier.issue 36 en_US
dc.identifier.startpage 19429 en_US
dc.identifier.endpage 19433 en_US
dc.identifier.volume 116 en_US

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