Structure and capacitance of an electric double layer of an asymmetric valency dimer electrolyte: A comparison of the density functional theory with Monte Carlo simulations

Henderson, Douglas; Silvestre-Alcantara, Whasington; Kaja, Monika; Lamperski, Stanislaw; Wu, Jianzhong; Bhuiyan, Lutful Bari

doi:10.1016/j.molliq.2016.08.051

Title: Structure and capacitance of an electric double layer of an asymmetric valency dimer electrolyte: A comparison of the density functional theory with Monte Carlo simulations

Journal Article · Thu Aug 18 00:00:00 EDT 2016 · Journal of Molecular Liquids

DOI:https://doi.org/10.1016/j.molliq.2016.08.051· OSTI ID:1399239

Henderson, Douglas ^[1]; Silvestre-Alcantara, Whasington ^[2]; Kaja, Monika ^[3]; Lamperski, Stanislaw ^[3]; Wu, Jianzhong ^[4]; Bhuiyan, Lutful Bari ^[2]

Brigham Young Univ., Provo, UT (United States)
Univ. of Puerto Rico, San Juan (Puerto Rico)
Adam Mickiewicz Univ. of Poznan, Poznan (Poland)
Univ. of California, Riverside, CA (United States)

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Research Organization:: Oak Ridge National Laboratory (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; ERKCC61

OSTI ID:: 1399239

Alternate ID(s):: OSTI ID: 1388371; OSTI ID: 1413809

Journal Information:: Journal of Molecular Liquids, Vol. 228, Issue C; ISSN 0167-7322

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 18 works

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Ion distribution and selectivity of ionic liquids in microporous electrodes Neal, Justin N.; Wesolowski, David J.; Henderson, Douglas The Journal of Chemical Physics, Vol. 146, Issue 17 https://doi.org/10.1063/1.4982351	journal	May 2017
Atomistic simulations of cation hydration in sodium and calcium montmorillonite nanopores Yang, Guomin; Neretnieks, Ivars; Holmboe, Michael The Journal of Chemical Physics, Vol. 147, Issue 8 https://doi.org/10.1063/1.4992001	journal	August 2017

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Planar electric double layer
Density functional theory
Anisotropic ion shape
Asymmetric valencies
catalysis (heterogeneous)
solar (fuels)
energy storage (including batteries and capacitors)
hydrogen and fuel cells
electrodes - solar
mechanical behavior
charge transport
materials and chemistry by design
synthesis (novel materials)

Title: Structure and capacitance of an electric double layer of an asymmetric valency dimer electrolyte: A comparison of the density functional theory with Monte Carlo simulations

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