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X-ray Scattering and O-O Pair-Distribution Functions of Amorphous Ices
Stockholms universitet, Naturvetenskapliga fakulteten, Fysikum.
Stockholms universitet, Naturvetenskapliga fakulteten, Fysikum.
Stockholms universitet, Naturvetenskapliga fakulteten, Fysikum.
Stockholms universitet, Naturvetenskapliga fakulteten, Fysikum.
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Antal upphovsmän: 112018 (Engelska)Ingår i: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 122, nr 30, s. 7616-7624Artikel i tidskrift (Refereegranskat) 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.

Ort, förlag, år, upplaga, sidor
2018. Vol. 122, nr 30, s. 7616-7624
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Kemi
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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
Tillgänglig från: 2018-09-19 Skapad: 2018-09-19 Senast uppdaterad: 2018-09-19Bibliografiskt granskad

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Mariedahl, DanielPerakis, FivosSpäh, AlexanderPathak, HarshadKim, Kyung HwanCamisasca, GaiaSchlesinger, DanielPettersson, Lars Gunnar MoodyNilsson, AndersArnann-Winkel, Katrin
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FysikumInstitutionen för miljövetenskap och analytisk kemi
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Journal of Physical Chemistry B
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