Journal
SOFT MATTER
Volume 7, Issue 23, Pages 11222-11231Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1sm06089a
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Funding
- National Science Foundation [NSF-CBET-0852353]
- Fluid Interface Reactions, Structures and Transport (FIRST) Center, and Energy Frontier Research Center
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [ERKCC61]
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Ionic liquids have attracted much recent theoretical interest for broad applications as environmentally-friendly solvents in separation and electrochemical processes. Because of the intrinsic complexity of organic ions and strong electrostatic correlations, the electrochemical properties of ionic liquids often defy the descriptions of conventional mean-field methods including the venerable, and over-used, Gouy-Chapman-Stern (GCS) theory. Classical density functional theory (DFT) has proven to be useful in previous studies of the electrostatic properties of aqueous electrolytes but until recently it has not been applied to ionic liquids. Here we report predictions from the DFT on the interfacial properties of ionic liquids near neutral or charged surfaces. By considering the molecular size, topology, and electrostatic correlations, we have examined major factors responsible for the unique features of electric-double layers of ionic-liquid including formation of long-range and alternating structures of cations and anions at charged surfaces.
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