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X-ray Scattering and O-O Pair-Distribution Functions of Amorphous Ices
Stockholm University, Faculty of Science, Department of Physics.
Stockholm University, Faculty of Science, Department of Physics.
Stockholm University, Faculty of Science, Department of Physics.
Stockholm University, Faculty of Science, Department of Physics.
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Number of Authors: 112018 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 122, no 30, p. 7616-7624Article in journal (Refereed) Published
Abstract [en]

The structure factor and oxygen-oxygen pair distribution functions of amorphous ices at liquid nitrogen temperature (T = 77 K) have been derived from wide-angle X-ray scattering (WAXS) up to interatomic distances of r = 23 angstrom, where local structure differences between the amorphous ices can be seen for the entire range. The distances to the first coordination shell for low-, high-, and very-high-density amorphous ice (LDA, HDA, VHDA) were determined to be 2.75, 2.78, and 2.80 angstrom, respectively, with high accuracy due to measurements up to a large momentum transfer of 23 angstrom(-1). Similarities in pair-distribution functions between LDA and supercooled water at 254.1 K, HDA and liquid water at 365.9 K, and VHDA and high-pressure liquid water were found up to around 8 angstrom, but beyond that at longer distances, the similarities were lost. In addition, the structure of the high-density amorphous ices was compared to high-pressure crystalline ices IV, IX, and XII, and conclusions were drawn about the local ordering.

Place, publisher, year, edition, pages
2018. Vol. 122, no 30, p. 7616-7624
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Chemical Sciences
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URN: urn:nbn:se:su:diva-160131DOI: 10.1021/acs.jpcb.8b04823ISI: 000440956300017PubMedID: 30036063OAI: oai:DiVA.org:su-160131DiVA, id: diva2:1249511
Available from: 2018-09-19 Created: 2018-09-19 Last updated: 2018-09-19Bibliographically approved

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Mariedahl, DanielPerakis, FivosSpäh, AlexanderPathak, HarshadKim, Kyung HwanCamisasca, GaiaSchlesinger, DanielPettersson, Lars Gunnar MoodyNilsson, AndersArnann-Winkel, Katrin
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