Molecular dynamics simulations of the electrical double layer on smectite surfaces contacting concentrated mixed electrolyte (NaCl–CaCl2) solutions

Double Layer ◽

Electrical Double Layer ◽

Mixed Electrolyte ◽

Molecular dynamics simulations of the electrical double layer at the 1 M KCl solution∣Hg electrode interface

Journal of Electroanalytical Chemistry ◽

10.1016/s0022-0728(00)00105-4 ◽

2000 ◽

Vol 486 (1) ◽

pp. 1-8 ◽

Cited By ~ 29

Author(s):

Dimitar I Dimitrov ◽

Nikola D Raev

Keyword(s):

Molecular Dynamics ◽

Double Layer ◽

Electrical Double Layer ◽

Electrode Interface ◽

Molecular dynamics simulations of the electrical double layer at 1 M potassium halide solution/Hg electrode interfaces

Physical Chemistry Chemical Physics ◽

10.1039/b006811j ◽

2001 ◽

Vol 3 (3) ◽

pp. 448-452 ◽

Cited By ~ 9

Author(s):

Dimitar I. Dimitrov ◽

Nikola D. Raev ◽

Khristo I. Semerdzhiev

Keyword(s):

Molecular Dynamics ◽

Double Layer ◽

Electrical Double Layer ◽

Halide Solution ◽

Dynamics Simulations ◽

Potassium Halide

Monte Carlo and Molecular Dynamics Simulations of Electrical Double-Layer Structure in Potassium−Montmorillonite Hydrates

Langmuir ◽

10.1021/la9704720 ◽

1998 ◽

Vol 14 (5) ◽

pp. 1201-1207 ◽

Cited By ~ 87

Author(s):

Fang-Ru Chou Chang ◽

N. T. Skipper ◽

Garrison Sposito

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Double Layer ◽

Electrical Double Layer ◽

Layer Structure ◽

Double Layer Structure ◽

Molecular dynamics simulations of single-layer and rotated double-layer graphene sheets under a high velocity impact by fullerene

Computational Materials Science ◽

10.1016/j.commatsci.2020.109798 ◽

2020 ◽

Vol 182 ◽

pp. 109798

Author(s):

Yun Qiu ◽

Yang Zhang ◽

A.S. Ademiloye ◽

Zhengtian Wu

Keyword(s):

Molecular Dynamics ◽

Double Layer ◽

High Velocity ◽

Single Layer ◽

Graphene Sheets ◽

High Velocity Impact ◽

Velocity Impact ◽

Layer Graphene ◽

Molecular dynamics simulations of water and ion dynamics in the electrochemical double layer

Solid State Ionics ◽

10.1016/s0167-2738(02)00275-8 ◽

2002 ◽

Vol 150 (1-2) ◽

pp. 1-12 ◽

Cited By ~ 30

Author(s):

E Spohr

Keyword(s):

Molecular Dynamics ◽

Double Layer ◽

Ion Dynamics ◽

Electrochemical Double Layer ◽

Molecular Dynamics Simulations of Li+ Desolvation in Electric Double Layer at the Lithium Ion Battery Graphitic Anode Interface

ECS Meeting Abstracts ◽

10.1149/ma2018-03/4/249 ◽

2018 ◽

Keyword(s):

Molecular Dynamics ◽

Lithium Ion Battery ◽

Double Layer ◽

Electric Double Layer ◽

Lithium Ion ◽

Molecular dynamics simulations of the electric double layer capacitance of graphene electrodes in mono-valent aqueous electrolytes

Nano Research ◽

10.1007/s12274-015-0978-5 ◽

2016 ◽

Vol 9 (1) ◽

pp. 174-186 ◽

Cited By ~ 42

Author(s):

Gengping Jiang ◽

Chi Cheng ◽

Dan Li ◽

Jefferson Zhe Liu

Keyword(s):

Molecular Dynamics ◽

Double Layer ◽

Electric Double Layer ◽

Aqueous Electrolytes ◽

Double Layer Capacitance ◽

Dynamics Simulations ◽

Electric Double Layer Capacitance

Molecular dynamics simulations of novel electrolytes based on mixtures of protic and aprotic ionic liquids at the electrochemical interface: Structure and capacitance of the electric double layer

Electrochimica Acta ◽

10.1016/j.electacta.2019.03.010 ◽

2019 ◽

Vol 305 ◽

pp. 223-231 ◽

Cited By ~ 4

Author(s):

Borja Docampo-Álvarez ◽

Víctor Gómez-González ◽

Oscar Cabeza ◽

Vladislav B. Ivaništšev ◽

Luis J. Gallego ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Double Layer ◽

Electric Double Layer ◽

Interface Structure ◽

Electrochemical Interface ◽

Combined Density Functional Theory and Molecular Dynamics Simulations To Investigate the Effects of Quantum and Double-Layer Capacitances in Functionalized Graphene as the Electrode Material of Aqueous-Based Supercapacitors

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c11602 ◽

2021 ◽

Vol 125 (10) ◽

pp. 5518-5524

Author(s):

Débora A. C. da Silva ◽

Antenor J. Paulista Neto ◽

Aline M. Pascon ◽

Eudes E. Fileti ◽

Leonardo R. C. Fonseca ◽

...

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Double Layer ◽

Electrode Material ◽

Density Functional ◽

Functionalized Graphene ◽

Functional Theory ◽

Studies on Interfacial Properties of Electric Double Layer Capacitors in Aqueous Electrolytes by Molecular Dynamics Simulations

Journal of Computer Chemistry Japan ◽

10.2477/jccj.2017-0033 ◽

2017 ◽

Vol 16 (4) ◽

pp. 112-115

Author(s):

Shinichiro YANO ◽

Michihisa KOYAMA

Keyword(s):

Molecular Dynamics ◽

Double Layer ◽

Electric Double Layer ◽

Interfacial Properties ◽

Aqueous Electrolytes ◽

Dynamics Simulations ◽

Double Layer Capacitors ◽

Electric Double Layer Capacitors