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dc.contributor.authorQuek, Su Ying
dc.contributor.authorBiener, Monika M.
dc.contributor.authorBiener, Juergen
dc.contributor.authorBhattacharjee, Joydeep
dc.contributor.authorFriend, Cynthia M.
dc.contributor.authorWaghmare, Umesh V.
dc.contributor.authorKaxiras, Efthimios
dc.date.accessioned2019-09-20T17:27:37Z
dc.date.issued2007
dc.identifier.citationQuek, Su Ying, Monika M. Biener, Juergen Biener, Joydeep Bhattacharjee, Cynthia M. Friend, Umesh V. Waghmare, and Efthimios Kaxiras. 2007. “Structure of Incommensurate Gold Sulfide Monolayer on Au(111).” The Journal of Chemical Physics 127 (10): 104704. https://doi.org/10.1063/1.2770731.
dc.identifier.issn0021-9606
dc.identifier.issn1089-7690
dc.identifier.issn1520-9032
dc.identifier.urihttp://nrs.harvard.edu/urn-3:HUL.InstRepos:41384021*
dc.description.abstractWe develop an atomic-scale model for an ordered incommensurate gold sulfide (AuS) adlayer which has previously been demonstrated to exist on the Au(111) surface, following sulfur deposition and annealing to 450 K. Our model reproduces experimental scanning tunneling microscopy images. Using state-of-the-art Wannier-function-based techniques, we analyze the nature of bonding in this structure and provide an interpretation of the unusual stoichiometry of the gold sulfide layer. The proposed structure and its chemistry have implications for related S-Au interfaces, as in those involved in self-assembled monolayers of thiols on Au substrates.
dc.language.isoen_US
dc.publisherAIP Publishing
dash.licenseLAA
dc.titleStructure of incommensurate gold sulfide monolayer on Au(111)
dc.typeJournal Article
dc.description.versionAccepted Manuscript
dc.relation.journalThe Journal of Chemical Physics
dash.depositing.authorKaxiras, Efthimios::2866c62f1d7e85db187eaf76c6f5ce68::600
dc.date.available2019-09-20T17:27:37Z
dash.workflow.comments1Science Serial ID 106657
dc.identifier.doi10.1063/1.2770731
dash.source.volume127;10
dash.source.page104704


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