scholarly journals Dynamical properties of a room temperature ionic liquid: Using molecular dynamics simulations to implement a dynamic ion cage model

2019 ◽  
Vol 151 (15) ◽  
pp. 154502 ◽  
Author(s):  
Maolin Sha ◽  
Xiaohang Ma ◽  
Na Li ◽  
Fabao Luo ◽  
Guanglai Zhu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Room Temperature ◽  
Room Temperature Ionic Liquid ◽  
Dynamical Properties ◽  
Dynamics Simulations

When do defectless alkanethiol SAMs in ionic liquids become penetrable? A molecular dynamics study

2015 ◽  
Vol 17 (47) ◽  
pp. 31947-31955 ◽  
Author(s):  
Sergey A. Kislenko ◽  
Victoria A. Nikitina ◽  
Renat R. Nazmutdinov
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulations ◽  
Room Temperature ◽  
Room Temperature Ionic Liquid ◽  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Self Assembled ◽  
Dynamics Simulations

Molecular dynamics simulations were performed to address the permeability of defectless alkanethiol self-assembled monolayers (SAMs) on charged and uncharged Au(111) surfaces in 1-butyl-3-methylimidazolium ([bmim][BF4]) room-temperature ionic liquid (IL).

Role of image charges in ionic liquid confined between metallic interfaces

2020 ◽  
Vol 22 (19) ◽  
pp. 10786-10791 ◽  
Author(s):  
Samuel Ntim ◽  
Marialore Sulpizi
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Minor Role ◽  
Liquid Gold ◽  
Metallic Interfaces ◽  
Dynamical Properties ◽  
Dynamics Simulations ◽  
A Minor

Atomistic molecular dynamics simulations unveil a minor role of metal polarisation at ionic liquid/gold interface and provide a novel description of the interface where long range effects are seen in dynamical properties up to 10 nm from surface.

Potential dependent changes in the structural and dynamical properties of 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide on graphite electrodes revealed by molecular dynamics simulations

2018 ◽  
Vol 20 (29) ◽  
pp. 19408-19415 ◽  
Author(s):  
Hiroo Miyamoto ◽  
Yasuyuki Yokota ◽  
Akihito Imanishi ◽  
Kouji Inagaki ◽  
Yoshitada Morikawa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Dynamic Properties ◽  
Graphite Electrodes ◽  
Dynamical Properties ◽  
Dynamics Simulations

Surface distributions and the dynamic properties of an ionic liquid on charged graphite electrodes.

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