Superhalogen-based lithium superionic conductors

2017 ◽  
Vol 5 (26) ◽  
pp. 13373-13381 ◽  
Author(s):  
Hong Fang ◽  
Shuo Wang ◽  
Junyi Liu ◽  
Qiang Sun ◽  
Puru Jena
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Rotational Motion ◽  
Superionic Conductors ◽  
Ion Diffusion ◽  
Li Ion ◽  
Dynamics Simulations

Molecular dynamics simulations show Li-ion diffusion in the newly invented antiperovskite Li3OBH4. The blue trajectories show how the Li+ ions run through the lattice of vibrational oxygen (red). The white trajectories show the fast rotational motion of the BH4− superhalogen ions.

Molecular Dynamics Simulations of LiCoyMn2-yO4Cathode Materials for Rechargeable Li Ion Batteries

2004 ◽  
Vol 108 (12) ◽  
pp. 3754-3759 ◽  
Author(s):  
Masanobu Nakayama ◽  
Mayumi Kaneko ◽  
Yoshiharu Uchimoto ◽  
Masataka Wakihara ◽  
Katsuyuki Kawamura
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Li Ion Batteries ◽  
Li Ion ◽  
Dynamics Simulations

Molecular dynamics simulations of separator-cathode interfacial thermal transport in a Li-ion cell

2020 ◽  
Vol 21 ◽  
pp. 100674 ◽  
Author(s):  
Abhijeet Dhakane ◽  
Vikas Varshney ◽  
Juan Liu ◽  
Hendrik Heinz ◽  
Ankur Jain
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Thermal Transport ◽  
Li Ion ◽  
Dynamics Simulations

Li-Ion Conduction Behaviors of Glass-Ceramic Lithium Thiophosphates: Empirical Force Fields and Molecular Dynamics Simulations

2020 ◽  
Vol MA2020-01 (2) ◽  
pp. 313-313
Author(s):  
Byung-Kook Kim ◽  
Ji-Su Kim ◽  
Wo Dum Jung ◽  
Ji-Won Son ◽  
Jong-Ho Lee ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Glass Ceramic ◽  
Force Fields ◽  
Ion Conduction ◽  
Li Ion ◽  
Dynamics Simulations

scholarly journals Analysis of a Li-Ion Nanobattery with Graphite Anode Using Molecular Dynamics Simulations

2017 ◽  
Vol 121 (23) ◽  
pp. 12959-12971 ◽  
Author(s):  
Victor Ponce ◽  
Diego E. Galvez-Aranda ◽  
Jorge M. Seminario
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Graphite Anode ◽  
Li Ion ◽  
Dynamics Simulations

Molecular dynamics simulations on oxygen ion diffusion in strained YSZ/CeO2 superlattice

1998 ◽  
Vol 130-132 ◽  
pp. 545-548 ◽  
Author(s):  
Ken Suzuki ◽  
Akira Endou ◽  
Ryuji Miura ◽  
Yasunori Oumi ◽  
Hiromitsu Takaba ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Ion Diffusion ◽  
Oxygen Ion ◽  
Dynamics Simulations ◽  
Oxygen Ion Diffusion
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