A combined experimental and theoretical study of 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene adsorption on Au(111)

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dc.contributor.authorLokamani, Mani
dc.contributor.authorKelling, Jeffrey
dc.contributor.authorOhmann, Robin
dc.contributor.authorMeyer, Jörg
dc.contributor.authorKühne, Tim
dc.contributor.authorCuniberti, Gianaurelio
dc.contributor.authorWolf, Jannic
dc.contributor.authorHuhn, Thomas
dc.contributor.authorZahn, Peter
dc.contributor.authorMoresco, Francesca
dc.date.accessioned2021-07-29T06:52:50Z
dc.date.available2021-07-29T06:52:50Z
dc.date.issued2021eng
dc.description.abstractThe electronic and geometrical structure of 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) molecules adsorbed on a Au(111) surface is investigated by low temperature scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) in conjunction with density-functional-based tight-binding (DFTB) simulations of the density of states and the interaction with the substrate. Our density functional theory calculations indicate that the PEEB molecule is physisorbed on the Au(111) substrate, with negligible distortion of the molecular geometry and charge transfer between molecule and substrate.eng
dc.description.versionpublishedde
dc.identifier.doi10.1016/j.susc.2021.121877eng
dc.identifier.ppn1773411004
dc.identifier.urihttps://kops.uni-konstanz.de/handle/123456789/54436
dc.language.isoengeng
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dc.subject.ddc540eng
dc.titleA combined experimental and theoretical study of 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene adsorption on Au(111)eng
dc.typeJOURNAL_ARTICLEde
dspace.entity.typePublication
kops.citation.bibtex
@article{Lokamani2021combi-54436,
  year={2021},
  doi={10.1016/j.susc.2021.121877},
  title={A combined experimental and theoretical study of 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene adsorption on Au(111)},
  volume={712},
  issn={0039-6028},
  journal={Surface Science},
  author={Lokamani, Mani and Kelling, Jeffrey and Ohmann, Robin and Meyer, Jörg and Kühne, Tim and Cuniberti, Gianaurelio and Wolf, Jannic and Huhn, Thomas and Zahn, Peter and Moresco, Francesca},
  note={Article Number: 121877}
}
kops.citation.iso690LOKAMANI, Mani, Jeffrey KELLING, Robin OHMANN, Jörg MEYER, Tim KÜHNE, Gianaurelio CUNIBERTI, Jannic WOLF, Thomas HUHN, Peter ZAHN, Francesca MORESCO, 2021. A combined experimental and theoretical study of 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene adsorption on Au(111). In: Surface Science. Elsevier. 2021, 712, 121877. ISSN 0039-6028. eISSN 1879-2758. Available under: doi: 10.1016/j.susc.2021.121877deu
kops.citation.iso690LOKAMANI, Mani, Jeffrey KELLING, Robin OHMANN, Jörg MEYER, Tim KÜHNE, Gianaurelio CUNIBERTI, Jannic WOLF, Thomas HUHN, Peter ZAHN, Francesca MORESCO, 2021. A combined experimental and theoretical study of 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene adsorption on Au(111). In: Surface Science. Elsevier. 2021, 712, 121877. ISSN 0039-6028. eISSN 1879-2758. Available under: doi: 10.1016/j.susc.2021.121877eng
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