Molecular Simulations of the Electric Double Layer Structure, Differential Capacitance, and Charging Kinetics forN-Methyl-N-propylpyrrolidinium Bis(fluorosulfonyl)imide at Graphite Electrodes

2011 ◽  
Vol 115 (12) ◽  
pp. 3073-3084 ◽  
Author(s):  
Jenel Vatamanu ◽  
Oleg Borodin ◽  
Grant D. Smith
Keyword(s):  
Double Layer ◽  
Electric Double Layer ◽  
Layer Structure ◽  
Molecular Simulations ◽  
Differential Capacitance ◽  
Graphite Electrodes ◽  
Double Layer Structure

scholarly journals Multiionic and Permittivity-Related Effects on the Diffuse Electric Double Layer Structure at Solid-Electrolyte Solution Interfaces

2018 ◽  
Vol 2018 ◽  
pp. 1-11 ◽  
Author(s):  
J. J. López-García ◽  
J. Horno ◽  
C. Grosse
Keyword(s):  
Solid Electrolyte ◽  
Double Layer ◽  
Electrolyte Solution ◽  
Electric Double Layer ◽  
Layer Structure ◽  
Differential Capacitance ◽  
Mixed Electrolytes ◽  
Mixed Electrolyte ◽  
Double Layer Structure ◽  
Diffuse Part

The structure and differential capacitance of the diffuse part of the electric double layer at solid-electrolyte solution interfaces are examined using a theoretical model that takes into account the finite ion size by modeling the solution as a suspension of polarizable insulating spheres in water. This formalism is applied to binary and mixed electrolyte solutions using the “Boublik–Mansoori–Carnahan–Starling–Leland” (BMCSL) theory for the steric interactions among ions. It is shown that the ionic size differences have a strong bearing on the diffuse part of the electric double layer structure, as well as on the differential capacitance dependence on the surface potential for mixed electrolytes.

scholarly journals An electric double layer structure and differential capacitance at the electrode interface of tributylmethylammonium bis(trifluoromethanesulfonyl)amide studied using a molecular dynamics simulation

2020 ◽  
Vol 22 (9) ◽  
pp. 5198-5210 ◽  
Author(s):  
Seiji Katakura ◽  
Naoya Nishi ◽  
Kazuya Kobayashi ◽  
Ken-ichi Amano ◽  
Tetsuo Sakka
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Quaternary Ammonium ◽  
Electric Double Layer ◽  
Layer Structure ◽  
Differential Capacitance ◽  
Dynamics Simulation ◽  
Double Layer Structure ◽  
Electrode Interface

A molecular dynamics simulation at the electrode interface of a quaternary ammonium ionic liquid, tributylmethylammonium bis(trifluoromethanesulfonyl)amide ([N1444+][TFSA−]), has been performed.

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