To wet or not to wet? Dispersion forces tip the balance for water-ice on metals

Details To wet or not to wet? Dispersion forces tip the balance for water-ice on metals To wet or not to wet? Dispersion forces tip the balance for water-ice on metals

2010-12-13

arxiv.org/abs/1012.2838v1

Phys. Rev. Lett. 106, 026101 (2011)

Physics

Condensed Matter

Materials Science

10 pages, 2 figures, Submitted to Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.106.026101

Despite widespread discussion, the role of van der Waals dispersion forces in wetting remains unclear. Here we show that non-local correlations contribute substantially to the water-metal bond and that this is an important factor in governing the relative stabilities of wetting layers and 3D bulk ice. Due to the greater polarizability of the substrate metal atoms, non-local correlations between water and the metal exceed those between water molecules within ice. This sheds light on a long-standing problem, wherein common density functional theory exchange-correlation functionals incorrectly predict that none of the low temperature experimentally characterized ice-like wetting layers are thermodynamically stable.

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