期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 26, 期 28, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/26/28/284106
关键词
dicationic ionic liquid; electrical double layer; interfacial structure; differential capacitance; graphene; supercapacitor
资金
- Fluid Interface Reactions, Structures, and Transport (FIRST) Center
- National Energy Research Scientific Computing Center - Office of Science of the US Department of Energy [DE-AC02-05CH11231]
- Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences
Molecular dynamics simulations were performed to investigate the interfacial structure and capacitance of electrical double layers (EDLs) in dicationic ionic liquids (DILs) 1-alkyl-3-dimethylimidazolium tetrafluoroborate [C-n(mim)(2)](BF4)(2) (n = 3, 6, 9), with respect to a baseline of a monocationic ionic liquid [C(3)mim][BF4], near planar carbon electrodes consisting of graphene sheets. The simulation results show that an adsorbed layer with double peaks is exclusively found for [C-3(mim)(2)](BF4)(2), while a single peak of the other three cations is observed at the neutral electrode, due to the difference in ion-wall interaction and cation-anion association. As the electrode becomes negatively charged, the second peak of [C-3(mim)(2)](2+) is dramatically reduced, whereas those of [C-6(mim)(2)](2+) and [C-9(mim)(2)](2+) become non-trivial. The capacitance-potential curve of EDLs in DILs manifests a transition from camel shape to bell shape as the cation chain length increases, which is attributed to the enlargement of ion adsorption (per unit charge) on the electrode and the decrease of attractive interaction between ions.
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