Atomic numeration of SDS and DeOH used in this work.
Schematic representation of the bilayer model used in our study, resembling the structure of a molecular aggregate whose boundary effects were discarded in our simulations.
Mean surface area per SDS molecule of the simulated bilayers, corresponding to the S1 and S2 samples in the absence and presence of lithium, respectively.
Polarized light microscopy texture of magnetic field orientated samples S1 (a) and S2 (b). A comparison of these textures with previous reported textures of DNLLC in similar systems 45,46 allows us to conclude that S1 and S2 are DNLLCs.
2H-NMR spectra of S1 and S2 samples.
Differences in quadrupolar splitting (Δν Q (S1) − Δν Q (S2)) vs. carbon number of the SDS aliphatic chain.
Experimental and calculated quadrupole splitting for the samples S1 and S2.
Density profile along the z-axis normal to the aggregate surface for the components of the system S2. Zero axis was placed in the middle of the aggregate bilayer.
Charge density along the z-axis normal to the aggregate surface of the system S2. Zero was located at the middle of the aggregate.
Mean square displacement of sodium ions in bulk solution and at the aggregate/solution interface, corresponding to the samples S1 and S2 (in the absence and presence of lithium ions, respectively).
Radial distribution function of sodium and lithium around sulphate and esther oxygens of the SDS, corresponding to the systems S1 (in the absence of lithium) and S2 (in the presence of lithium) in solution.
Water dipole orientation from bulk water to the interior of the aggregate. The z-axis is perpendicular to the surface of the aggregate, and zero of the z-axis was placed in the middle of the aggregate.
⟨P 1(t)⟩ calculated from simulation (points) and the solid line represents the fit to a multiexponential. For further information, see the text.
Atomic charge distribution for all the species involved in the simulations. The SDS and DeOH charge distributions were obtained by the semi-empiric CNDO method, 33 and the SO4 charge distribution from ab initio 6-31G calculations. The atomic numeration for SDS and DeOH matches the corresponding numeration in Figure 1 .
Lennard-Jones parameters involved in our simulations, considering the potential equation .
Experimental and simulation 2H quadrupolar splitting (Δν Q ) in Hz, relaxation time T 1 in ms for DHO and SDS-d25, for the samples S1 (without lithium) and S2 (with lithium).
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