Scientific Achievement
IL-vacuum interface was studied and a quantitative connection between molecular simulations and angle-resolved X-ray photoemission was achieved.
Significance and Impact
Ionic species tend to behave differently at interface compared to its bulk, which is confirmed by MD simulation and angle-resolved X-ray photoemission.
Research Details
- The liquid-vacuum interface was investigated for a ionic liquid (IL) mixture containing 1-ethyl-3-methylimidazolium acetate, [C2MIM][OAc], and 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl) imide, [C2MIM][TFSI].
- Both experiments and simulations reveal that the mole fraction of [TFSI]- increases significantly from the bulk value in the top 17 Å.
- Simulations show that [TFSI]- has a preferred orientation at the liquid-vacuum interface.