scholarly journals Interface Structure in Li-Metal/[Pyr14][TFSI]-Ionic Liquid System from ab Initio Molecular Dynamics Simulations

2019 ◽  
Vol 10 (16) ◽  
pp. 4577-4586 ◽  
Author(s):  
Boris V. Merinov ◽  
Sergey V. Zybin ◽  
Saber Naserifar ◽  
Sergey Morozov ◽  
Julius Oppenheim ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Interface Structure ◽  
Liquid System ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations

scholarly journals Li-diffusion at the interface between Li-metal and [Pyr14][TFSI]-ionic liquid: Ab initio molecular dynamics simulations

2020 ◽  
Vol 152 (3) ◽  
pp. 031101 ◽  
Author(s):  
Boris V. Merinov ◽  
Saber Naserifar ◽  
Sergey V. Zybin ◽  
Sergey Morozov ◽  
William A. Goddard ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations
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