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Ice nanoclusters at hydrophobic metal surfaces

Nature Materials volume 6, pages 597–601 (2007)Cite this article

Abstract

Studies of the structure of supported water clusters provide a means for obtaining a rigorous molecular-scale description of the initial stages of heterogeneous ice nucleation: a process of importance to fields as diverse as atmospheric chemistry, astrophysics and biology. Here, we report the observation and characterization of metal-supported water hexamers and a family of hydrated nanoclusters—heptamers, octamers and nonamers—through a combination of low-temperature scanning tunnelling microscopy experiments and first-principles electronic-structure calculations. Aside from achieving unprecedented resolution of the cyclic water hexamer—the so-called smallest piece of ice—we identify and explain a hitherto unknown competition between the ability of water molecules to simultaneously bond to a substrate and to accept hydrogen bonds. This competition also rationalizes previous structure predictions for water clusters on other substrates.

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Figure 1: Selected STM images of adsorbed water clusters on Cu and Ag.
Figure 2: High-resolution STM images of adsorbed water clusters.
Figure 3: Optimized structures and selected distances (Å) obtained from DFT for H2O clusters on Cu(111).
Figure 4: Electronic structures of water hexamers on Cu(111).
Figure 5: Structures of model water bilayers on metal surfaces and some typical structures of small adsorbed water clusters.

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Acknowledgements

We are grateful to M. Scheffler for valuable discussions. K.M. is grateful to the Deutsche Forschungsgemeinschaft (DFG) for a Heisenberg scholarship. This work was conducted as part of a EURYI scheme. See www.esf.org/euryi.

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Authors and Affiliations

  1. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany

    Angelos Michaelides

  2. London Centre for Nanotechnology and Department of Chemistry, University College London, London WC1E 6BT, UK

    Angelos Michaelides

  3. Institut für Festkörperphysik, Leibniz University of Hannover, Appelstr. 2, D-30167 Hannover, Germany

    Karina Morgenstern

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Correspondence to Angelos Michaelides.

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Michaelides, A., Morgenstern, K. Ice nanoclusters at hydrophobic metal surfaces. Nature Mater 6, 597–601 (2007). https://doi.org/10.1038/nmat1940

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