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

A. V. Egorov; A. V. Komolkin; V. I. Chizhik; P. V. Yushmanov; A. P. Lyubartsev; Aatto Laaksonen

doi:10.1021/jp026677l

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

The Journal of Physical Chemistry B ◽

10.1021/jp026677l ◽

2003 ◽

Vol 107 (14) ◽

pp. 3234-3242 ◽

Cited By ~ 59

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

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

The Journal of Physical Chemistry C ◽

10.1021/jp3054179 ◽

2012 ◽

Vol 116 (45) ◽

pp. 23871-23881 ◽

Cited By ~ 92

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

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Effect of Organic Solvents on Li+Ion Solvation and Transport in Ionic Liquid Electrolytes: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp510644k ◽

2015 ◽

Vol 119 (7) ◽

pp. 3085-3096 ◽

Cited By ~ 45

Author(s):

Zhe Li ◽

Oleg Borodin ◽

Grant D. Smith ◽

Dmitry Bedrov

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Organic Solvents ◽

Simulation Study ◽

Dynamics Simulation ◽

Ion Solvation ◽

Liquid Electrolytes ◽

Li Ion

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

Journal of Molecular Modeling ◽

10.1007/s00894-020-04464-8 ◽

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

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Hydration of Li+-ion in atom-bond electronegativity equalization method–7P water: A molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.1853372 ◽

2005 ◽

Vol 122 (8) ◽

pp. 084514 ◽

Cited By ~ 39

Author(s):

Xin Li ◽

Zhong-Zhi Yang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Electronegativity Equalization ◽

Electronegativity Equalization Method ◽

Li Ion ◽

Atom Bond ◽

Equalization Method

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Influence of Mn2+ on mechanical, dynamical, and structural properties of solid electrolyte interphase in Li-ion batteries: A molecular dynamics simulation study

Solid State Ionics ◽

10.1016/j.ssi.2021.115573 ◽

2021 ◽

Vol 362 ◽

pp. 115573

Author(s):

Mahsa Ebrahiminia ◽

Cun Wang ◽

Dengpan Dong ◽

Lidan Xing ◽

Justin B. Hooper ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Solid Electrolyte ◽

Structural Properties ◽

Simulation Study ◽

Solid Electrolyte Interphase ◽

Dynamics Simulation ◽

Li Ion Batteries ◽

Li Ion

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Molecular dynamics simulation study of the response of polyurea to a shock

10.26226/morressier.5f5f8e69aa777f8ba5bd5f91 ◽

2020 ◽

Author(s):

Manva Manva

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Salient Structural Features of Human Lemur Tyrosine Kinase 3 (LMTK3) Domain from Molecular Dynamics Simulation Study

Current Biotechnology ◽

10.2174/2213529404666180125161856 ◽

2018 ◽

Vol 7 (4) ◽

pp. 309-316

Author(s):

Himakshi Sarma ◽

Venkata Satish Kumar Mattaparthi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Dynamics Simulation

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Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

Chemical Physics Letters ◽

10.1016/j.cplett.2005.05.035 ◽

2005 ◽

Vol 410 (1-3) ◽

pp. 54-58 ◽

Cited By ~ 12

Author(s):

Aiko Hayashi ◽

Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: A molecular dynamics simulation study

Physical Review E ◽

10.1103/physreve.70.011804 ◽

2004 ◽

Vol 70 (1) ◽

Cited By ~ 11

Author(s):

Dmitry Bedrov ◽

Grant D. Smith ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

Dynamics Simulation

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Regimes of Flow over Complex Structures of Endothelial Glycocalyx: A Molecular Dynamics Simulation Study

Scientific Reports ◽

10.1038/s41598-018-24041-7 ◽

2018 ◽

Vol 8 (1) ◽

Cited By ~ 6

Author(s):

Xi Zhuo Jiang ◽

Muye Feng ◽

Yiannis Ventikos ◽

Kai H. Luo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Endothelial Glycocalyx ◽

Complex Structures

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