X-ray Scattering and O-O Pair-Distribution Functions of Amorphous Ices

Autor: Mariedahl D., Perakis F., Spah A., Pathak H., Kim K. H., Camisasca G., Schlesinger D., Benmore C., Pettersson L. G. M., Nilsson A., Amann-Winkel K.
Přispěvatelé: Mariedahl, D., Perakis, F., Spah, A., Pathak, H., Kim, K. H., Camisasca, G., Schlesinger, D., Benmore, C., Pettersson, L. G. M., Nilsson, A., Amann-Winkel, K.
Jazyk: angličtina
Rok vydání: 2018
Popis: 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 Å, 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 Å, respectively, with high accuracy due to measurements up to a large momentum transfer of 23 Å-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 Å, 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.
Databáze: OpenAIRE