Nicholas, TC;
Headen, TF;
Wasse, JC;
Howard, CA;
Skipper, NT;
Seel, AG;
(2021)
Intermediate Range Order in Metal-Ammonia Solutions: Pure and Na-Doped Ca-NH_{3}.
The Journal of Physical Chemistry B
10.1021/acs.jpcb.1c03843.
(In press).
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Abstract
The local and intermediate range ordering in Ca–NH3 solutions in their metallic phase is determined through H/D isotopically differenced neutron diffraction in combination with empirical potential structure refinements. For both low and high relative Ca concentrations, the Ca ions are found to be octahedrally coordinated by the NH3 solvent, and these hexammine units are spatially correlated out to lengthscales of ∼7.4–10.3 Å depending on the concentration, leading to pronounced ordering in the bulk liquid. We further demonstrate that this liquid order can be progressively disrupted by the substitution of Ca for Na, whereby a distortion of the average ion primary solvation occurs and the intermediate range ion–ion correlations are disrupted.
| Type: | Article |
|---|---|
| Title: | Intermediate Range Order in Metal-Ammonia Solutions: Pure and Na-Doped Ca-NH_{3} |
| Location: | United States |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.jpcb.1c03843 |
| Publisher version: | https://doi.org/10.1021/acs.jpcb.1c03843 |
| Language: | English |
| Additional information: | © 2021 The Authors. Published by American Chemical Society. This is an Open Access article published under the terms of a Creative Commons license (https://creativecommons.org/licenses/by/4.0/). |
| Keywords: | Liquids, Metals, Order, Solvation, Ions |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10130830 |
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