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Title: Density functional theory study of the capacitance of single file ions in a narrow cylinder

Journal Article · · Journal of Colloid and Interface Science
 [1];  [1];  [2]
  1. Univ. of California, Riverside, CA (United States)
  2. Brigham Young Univ., Provo, UT (United States)
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In this paper, the differential capacitance of a model organic electrolyte in a cylindrical pore that is so narrow that the ions can form only a single file is studied by means of density functional theory (DFT). Kornyshev (2013), has studied this system and found the differential capacitance to have only a double hump shape (the so-called camel shape) whereas other geometries show this behavior only at low ionic concentrations that are typical for aqueous electrolytes. However, his calculation is rather approximate. In this DFT study we find that the double hump shape occurs only at low ionic concentrations. At high concentrations, the capacitance has only a single hump. Kornyshev considers a metallic cylinder and approximately includes the contributions of electrostatic images. Electrostatic images are not easily incorporated into DFT. In conclusion, images are not considered in this study and the question of whether Kornyshev’s result is due to his approximations or images cannot be answered. Simulations to answer this question are planned.

Research Organization:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); 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)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1265472
Alternate ID(s):
OSTI ID: 1246727
Journal Information:
Journal of Colloid and Interface Science, Vol. 449, Issue C; ISSN 0021-9797
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 24 works
Citation information provided by
Web of Science

References (24)

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Lattice model of ionic liquid confined by metal electrodes journal May 2018

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Single file nanopore
Cylindrical double layer
Capacitance
Density functional theory