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CRYSTALLINE ICE Amorphous on the surface
Linköping University, Department of Physics, Chemistry and Biology, Physical Chemistry. Linköping University, The Institute of Technology.ORCID iD: 0000-0002-5341-2637
2011 (English)In: Nature Materials, ISSN 1476-1122, E-ISSN 1476-4660, Vol. 10, no 10, 725-726 p.Article in journal, Editorial material (Other academic) Published
Abstract [en]

Crystalline ice surfaces are found to exhibit an unusually large spread of vacancy formation energies, akin to an amorphous material. The finding has implications for the fundamental understanding of electrostatically frustrated surfaces and for the reactivity and catalytic properties of atmospheric ice. Watkins et al. have found that even for a perfect ice surface, a clean-cut surface where the oxygen atoms are ordered in a hexagonal lattice, the energy needed to form a vacancy varies greatly depending on the water molecule removed. They found that at interfaces, nearest-neighbor water molecules cannot satisfy all hydrogen bonds, and thus some of the molecules exhibit dangling OH bonds. The findings of Watkins and co-authors imply that ice may possess more surface vacancies than expected. The ab initio molecular dynamics simulations of model ice surfaces show that surface molecules can be thermally activated below the model's melting point to form vacancies and adsorbed molecules at the surface.

Place, publisher, year, edition, pages
Nature Publishing Group, 2011. Vol. 10, no 10, 725-726 p.
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-71548DOI: 10.1038/nmat3129ISI: 000295155200002PubMedID: 21941266Scopus ID: 2-s2.0-80053533778OAI: oai:DiVA.org:liu-71548DiVA: diva2:450530
Available from: 2011-10-21 Created: 2011-10-21 Last updated: 2017-12-08Bibliographically approved

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Ojamäe, Lars

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