Water structure in 'water-in-salt' and 'water-in-bisalt' electrolytes
We propose to measure the structure factor of two promising electrolytes, based on the 'water-in-salt' (LiTFSI + H2O/D2O) and 'water-in-bisalt' (LiTFSI + LiOTf + H2O/D2O) concepts. MD simulations of both systems suggest that the high concentrations prevent a complete solvation of the Li cations by water. In order to verify this picture and get additional details about the structure around the water hydrogens, we propose to use D3 to measure the structure on mixtures using H2O and D2O. Using polarized neutrons we can extract the coherent structure factor for the mixtures with H2O and D2O and use the first difference method to determine the partial r.d.f. H-X.
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SABOUNGI Marie-Louise; CUELLO Gabriel; GONZALEZ Miguel Angel; Maiko Kofu; PRICE David L. and STUNAULT Anne. (2018). Water structure in 'water-in-salt' and 'water-in-bisalt' electrolytes. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.6-02-577
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