Density functional theory for differential capacitance of planar electric double layers in ionic liquids

Journal Article · · Chemical Physics Letters

DOI:https://doi.org/10.1016/j.cplett.2011.01.072· OSTI ID:1065385

Jiang, D.; Meng, D.; Wu, J. Z.

The differential capacitance of electric double layers in ionic liquids and its correlation with the surface charge density, ion size and concentration are studied within the framework of the classical density functional theory (DFT). As prescribed by previous analytical theories, DFT is able to reproduce the transition in the differential capacitance versus the surface potential curve from the ‘camel’ shape to the ‘bell’ shape when the ionic density increases. However, DFT predicts alternating layers of cations and anions at the charged surface that cannot be described by the classical Gouy–Chapman–Stern model and its modifications.

• Research Organization: Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: ERKCC61
• OSTI ID: 1065385
• Journal Information: Chemical Physics Letters, Vol. 504, Issue 4-6; Related Information: FIRST partners with Oak Ridge National Laboratory (lead); Argonne National Laboratory; Drexel University; Georgia State University; Northwestern University; Pennsylvania State University; Suffolk University; Vanderbilt University; University of Virginia; ISSN 0009-2614
• Country of Publication: United States
• Language: English

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