Effect of salt concentration on properties of mixed carbonate-based electrolyte for Li-ion batteries: a molecular dynamics simulation study

2020 ◽  
Vol 26 (8) ◽  
Author(s):  
Hasty Haghkhah ◽  
Behnam Ghalami Choobar ◽  
Sepideh Amjad-Iranagh
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Salt Concentration ◽  
Dynamics Simulation ◽  
Li Ion Batteries ◽  
Li Ion ◽  
Mixed Carbonate

Electrode/Electrolyte Interface in Sulfolane-Based Electrolytes for Li Ion Batteries: A Molecular Dynamics Simulation Study

2012 ◽  
Vol 116 (45) ◽  
pp. 23871-23881 ◽  
Author(s):  
Lidan Xing ◽  
Jenel Vatamanu ◽  
Oleg Borodin ◽  
Grant D. Smith ◽  
Dmitry Bedrov
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Li Ion Batteries ◽  
Electrolyte Interface ◽  
Li Ion

Temperature and Concentration Effects on Li+-Ion Hydration. A Molecular Dynamics Simulation Study

2003 ◽  
Vol 107 (14) ◽  
pp. 3234-3242 ◽  
Author(s):  
A. V. Egorov ◽  
A. V. Komolkin ◽  
V. I. Chizhik ◽  
P. V. Yushmanov ◽  
A. P. Lyubartsev ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Concentration Effects ◽  
Ion Hydration ◽  
Li Ion ◽  
Temperature And Concentration Effects

scholarly journals Molecular Insight into the Structure and Dynamics of LiTf2N/Deep Eutectic Solvent: An Electrolyte for Li-ion Batteries

2021 ◽  
Author(s):  
kishant kumar ◽  
Anand Bharti ◽  
Rudra Kumar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Deep Eutectic Solvent ◽  
Lithium Ion ◽  
Dynamics Simulation ◽  
Metal Extraction ◽  
Li Ion Batteries ◽  
Structure And Dynamics ◽  
Li Ion ◽  
Insight Into

Two choline based deep eutectic solvent namely ethaline and glyceline have been used in different applications such as metal extraction, solubility and in electrochemistry because of its easy availability, inexpensive and non-toxic nature. In this work, molecular dynamics simulation was employed to study the structural and transport properties of ethaline and glyceline when blended with Li+ based salt (Lithium Bis (trifluoromethane sulfonyl) imide (LiTf2N)) in varying concentration for the application as electrolytes in lithium ion batteries.

A molecular dynamics simulation study on the inhibition performance controlled by salt concentration

2019 ◽  
Vol 715 ◽  
pp. 335-340 ◽  
Author(s):  
Youguo Yan ◽  
Quangang Hou ◽  
Yingnan Zhang ◽  
Lixia Zhou ◽  
Jun Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Salt Concentration ◽  
Dynamics Simulation ◽  
Inhibition Performance

scholarly journals Molecular Insight into the Structure and Dynamics of LiTf2N/Deep Eutectic Solvent: An Electrolyte for Li-ion Batteries

2021 ◽  
Author(s):  
kishant kumar ◽  
Anand Bharti ◽  
Rudra Kumar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Deep Eutectic Solvent ◽  
Lithium Ion ◽  
Dynamics Simulation ◽  
Metal Extraction ◽  
Li Ion Batteries ◽  
Structure And Dynamics ◽  
Li Ion ◽  
Insight Into

Two choline based deep eutectic solvent namely ethaline and glyceline have been used in different applications such as metal extraction, solubility and in electrochemistry because of its easy availability, inexpensive and non-toxic nature. In this work, molecular dynamics simulation was employed to study the structural and transport properties of ethaline and glyceline when blended with Li+ based salt (Lithium Bis (trifluoromethane sulfonyl) imide (LiTf2N)) in varying concentration for the application as electrolytes in lithium ion batteries.

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