Molecular Dynamics Simulation of Interfacial Electrochemical Processes: Electric Double Layer Screening

1997 ◽  
pp. 13-30 ◽  
Author(s):  
Michael R. Philpott ◽  
James N. Glosli
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Double Layer ◽  
Electric Double Layer ◽  
Dynamics Simulation ◽  
Electrochemical Processes

Effects of repulsive interaction on the electric double layer of an imidazolium-based ionic liquid by molecular dynamics simulation

2015 ◽  
Vol 17 (4) ◽  
pp. 2628-2633 ◽  
Author(s):  
Wenyang Jin ◽  
Xiaohong Liu ◽  
Yining Han ◽  
Shu Li ◽  
Tianying Yan
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Double Layer ◽  
Electric Double Layer ◽  
Graphite Electrode ◽  
Dynamics Simulation ◽  
Repulsive Interaction

Effects of repulsion between BMIM+/PF6− and the graphite electrode on electric double layer was studied by molecular dynamics simulation.

scholarly journals Dynamic behaviour of the silica-water-bio electrical double layer in the presence of a divalent electrolyte

2017 ◽  
Vol 19 (4) ◽  
pp. 2687-2701 ◽  
Author(s):  
B. M. Lowe ◽  
Y. Maekawa ◽  
Y. Shibuta ◽  
T. Sakata ◽  
C.-K. Skylaris ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Charge Distribution ◽  
Double Layer ◽  
Electrical Double Layer ◽  
Electric Double Layer ◽  
Dynamic Behaviour ◽  
Dynamics Simulation ◽  
Mixed Electrolyte

Molecular dynamics simulation of the electric double layer at the silica-water-bio interface in mixed electrolyte. Water orientation and charge distribution showed a significant effect on the electrostatics at the interface.

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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