Table 1. In-Pore Ionic Populations at 0 V from MD Simulations and NMR Spectroscopya.
| method | electrolyte | carbon | pore size (average)/nm | in-pore population at 0 V/mmol g–1 carbon | ref |
|---|---|---|---|---|---|
| NMR | EMI–TFSI ionic liquid | YP50F | 1.01 | 1.8 | (53) |
| NMR | Pyr13–TFSI ionic liquid | YP50F | 1.01 | 1.6 | (53) |
| MD | BMI–PF6 ionic liquid | CDC | 0.93 | 1.87 | (39) |
| MD | EMI–TFSI ionic liquid | slit pore | 1.10 | 1.74 | (43) |
| MD | EMI–TFSI ionic liquid | slit pore | 1.00 | 1.43 | (28) |
| MD | EMI–Cl ionic liquid | MWCNT | 1.36 | 1.8b | (41) |
| MD | EMI–BF4 ionic liquid | CNT | 1.08 | 0.7 | (42) |
| NMR | EMI–TFSI/ACN (1.9 M) | YP50F | 1.01 | 1.2 | (53) |
| NMR | Pyr13–TFSI/ACN (1.8 M) | YP50F | 1.01 | 1.1 | (53) |
| MD | BMI–PF6/ACN (1.5 M) | CDC | 0.93 | 0.68 | (40) |
| NMR | PEt4–BF4/ACN (1.5 M) | YP50F | 1.01 | 0.86 | (52) |
| NMR | PEt4–BF4/ACN (0.75 M) | YP50F | 1.01 | 0.47 | (52) |
| NMR | PEt4–BF4/ACN (0.5 M) | YP50F | 1.01 | 0.31 | (52) |
| NMR | NaF aq (0.8 mol kg–1) | PEEK AC | 1.55 | >0 | (55) |
| NMR | NaF aq (0.8 mol kg–1) | PEEK AC | 0.58 | 0 | (55) |
a
In the NMR studies the commercially activated carbon YP50F was studied in all cases, except for in ref (55), where activated carbons derived from poly(ether-ether-ketone) (PEEK AC) were studied. In most of the MD simulations listed, idealized carbon geometries such as slit pores and multi-walled carbon nanotubes (MWCNTs) were studied, with the exception of the studies of model CDC electrodes in refs (39) and (40).
b
For the calculation of the gravimetric in-pore population from ref (41), only the inner wall of the MWCNT was considered for the mass calculation. Note: Pyr13–TFSI is 1-methyl-1-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide, and EMI–TFSI is 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide.