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dc.contributor.authorMeng, Sheng
dc.contributor.authorKaxiras, Efthimios
dc.contributor.authorZhang, Zhenyu
dc.date.accessioned2019-09-20T17:27:38Z
dc.date.issued2007
dc.identifier.citationMeng, Sheng, Efthimios Kaxiras, and Zhenyu Zhang. 2007. “Water Wettability of Close-Packed Metal Surfaces.” The Journal of Chemical Physics 127 (24): 244710. https://doi.org/10.1063/1.2804871.
dc.identifier.issn0021-9606
dc.identifier.issn1089-7690
dc.identifier.issn1520-9032
dc.identifier.urihttp://nrs.harvard.edu/urn-3:HUL.InstRepos:41384022*
dc.description.abstractWe propose a new microscopic criterion to determine surface wetting: water wets the surface whenever its overlayer has a larger adsorption energy than three-dimensional clusters on the bare or water-covered substrate. This conceptually intuitive criterion is validated by detailed first-principles calculations of the energetics of layers and clusters of water on different metal surfaces. This criterion resolves naturally the current discrepancy between theory and experiment on the wetting behavior of undissociated water on Ru(0001), as well as the hydrophobic nature of the Au(111) surface. It also explains the Stranski-Krastanov ice growth on Pt(111) observed experimentally.
dc.language.isoen_US
dc.publisherAIP Publishing
dash.licenseLAA
dc.titleWater wettability of close-packed metal surfaces
dc.typeJournal Article
dc.description.versionVersion of Record
dc.relation.journalThe Journal of Chemical Physics
dash.depositing.authorKaxiras, Efthimios::2866c62f1d7e85db187eaf76c6f5ce68::600
dc.date.available2019-09-20T17:27:38Z
dash.workflow.comments1Science Serial ID 106660
dc.identifier.doi10.1063/1.2804871
dash.source.volume127;24
dash.source.page244710


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