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The Role of Substrate Electrons in the Wetting of a Metal Surface
Stockholm University, Faculty of Science, Department of Physics. (Kvantkemi)
Stockholm University, Faculty of Science, Department of Physics.
Stockholm University, Faculty of Science, Department of Physics. (Molekylfysik)
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2010 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 132, no 9, 094701- p.Article in journal (Refereed) Published
Abstract [en]

We address how the electronic and geometric structures of metal surfaces determine water-metal bonding by affecting the balance between Pauli repulsion and electrostatic attraction. We show how the rigid d-electrons and the softer s-electrons utilize different mechanisms for the redistribution of charge that enables surface wetting. On open d-shell Pt(111), the ligand field of water alters the distribution of metal d-electrons to reduce the repulsion. The closed-shell Cu d10 configuration of isostructural Cu(111), however, does not afford this mechanism, resulting in a hydrophobic surface and three-dimensional ice cluster formation. On the geometrically corrugated Cu(110) surface, however, charge depletion involving the mobile sp-electrons at atomic rows reduces the exchange repulsion sufficiently such that formation of a two-dimensional wetting layer is still favored in spite of the d10 electronic configuration

Place, publisher, year, edition, pages
2010. Vol. 132, no 9, 094701- p.
Keyword [en]
bonds (chemical); copper; crystal field interactions; platinum; surface states; surface structure; water; wetting
National Category
Condensed Matter Physics
URN: urn:nbn:se:su:diva-47089DOI: 10.1063/1.3292681ISI: 000275245400025OAI: diva2:372993
authorCount :7Available from: 2010-11-29 Created: 2010-11-29 Last updated: 2011-01-05Bibliographically approved

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Takahashi, OsamuÖström, HenrikPettersson, Lars G.M.Nilsson, Anders
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