Fig. 3: Solvent–solvent relative orientation as a function of CoM–CoM distance for solvents in the first SWCNT solvation shell, the second SWCNT solvation shell and beyond the second SWCNT solvation shell.
From: Intermediate-range solvent templating and counterion behaviour at charged carbon nanotube surfaces
a–d, Angular RDFs of NMP (a,c) and DMAc (b,d) with defined axes (top) of x along the C=O axis that approximates the direction of the dipole and z normal to the molecular plane. Inter-z (θzz, a,b) and inter-x (θxx, c,d) angles, binned in 10° increments. Data sampled from solvents with CoM found within (i) the first SWCNT solvation shell (NMP-SWCNT < 5.9 Å; DMAc-SWCNT < 6.1 Å), (ii) the second SWCNT solvation shell (NMP-SWCNT 5.9–12.1 Å; DMAc-SWCNT 6.1–11.9 Å) and (iii) beyond the second SWCNT solvation shell (>12.2 Å and >11.9 Å from the SWNCT wall for NMP and DMAc, respectively). The g(r,θ) intensity is given by colour scale inset in each graph, and is scaled with the maximum set to the highest intensity g(r) of a given solvent-axes set. The aRDFs of all solvent molecules in the analysis cell are provided in Extended Data Fig. 6, and data scaled to the g(r) range of each individual aRDF are provided in Extended Data Fig. 7.
