The Role of Substrate Electrons in the Wetting of a Metal Surface

authorCount :7
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

NATURVETENSKAP Fysik Den kondenserade materiens fysik hsv//swe
NATURAL SCIENCES Physical Sciences Condensed Matter Physics hsv//eng
bonds (chemical); copper; crystal field interactions; platinum; surface states; surface structure; water; wetting
Macromolecular physics
Makromolekylfysik

Takahashi, OsamuStockholms universitet,Fysikum(Swepub:su)osta4655 (author)
Andersson, Klas J.Haldor-Topsoe (author)
Öström, HenrikStockholms universitet,Fysikum,Molekylfysik(Swepub:su)ostrom (author)
Pettersson, Lars G.M.Stockholms universitet,Fysikum,Kvantkemi(Swepub:su)lgm (author)
Nilsson, AndersStockholms universitet,Fysikum,Kvantkemi(Swepub:su)andersn (author)
Ogasawara, HirohitoStockholms universitet,Fysikum (author)
Stockholms universitetFysikum (creator_code:org_t)

In:Journal of Chemical Physics: AIP Publishing132:9, s. 094701-0021-96061089-7690

By the author/editor: Schiros, Theanne; Takahashi, Osamu; Andersson, Klas ...; Öström, Henrik; Pettersson, Lars ...; Nilsson, Anders; show more...; Ogasawara, Hiroh ...; show less...

About the subject

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Condensed Matter ...

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