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

Phys Rev Lett

London Centre for Nanotechnology and Department of Chemistry, University College London, London WC1E 6BT, United Kingdom.

Published: January 2011

AI Article Synopsis

  • The role of van der Waals dispersion forces in wetting is not fully understood, but this study highlights the importance of nonlocal correlations in the water-metal bond.
  • Nonlocal correlations between water and metal atoms are stronger due to the higher polarizability of metal, surpassing interactions between water molecules in ice.
  • This research addresses an issue with current density functional theory models, which inaccurately claim that low-temperature wetting layers are not thermodynamically stable.

Article Abstract

Despite widespread discussion, the role of van der Waals dispersion forces in wetting remains unclear. Here we show that nonlocal 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. Because of the greater polarizability of the substrate metal atoms, nonlocal 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 icelike wetting layers are thermodynamically stable.

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http://dx.doi.org/10.1103/PhysRevLett.106.026101DOI Listing

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