Atomic Insight into the Lithium Storage and Diffusion Mechanism of SiO2/Al2O3 Electrodes of Lithium Ion Batteries: ReaxFF Reactive Force Field Modeling

2016 ◽  
Vol 120 (13) ◽  
pp. 2114-2127 ◽  
Author(s):  
Alireza Ostadhossein ◽  
Sung-Yup Kim ◽  
Ekin D. Cubuk ◽  
Yue Qi ◽  
Adri C. T. van Duin
Keyword(s):  
Force Field ◽  
Lithium Ion Batteries ◽  
Diffusion Mechanism ◽  
Lithium Ion ◽  
Reactive Force ◽  
Lithium Storage ◽  
Field Modeling ◽  
Reaxff Reactive Force Field ◽  
And Diffusion ◽  
Insight Into

ReaxFF Reactive Force-Field Modeling of the Triple-Phase Boundary in a Solid Oxide Fuel Cell

2014 ◽  
Vol 5 (22) ◽  
pp. 4039-4043 ◽  
Author(s):  
Boris V. Merinov ◽  
Jonathan E. Mueller ◽  
Adri C. T. van Duin ◽  
Qi An ◽  
William A. Goddard
Keyword(s):  
Fuel Cell ◽  
Force Field ◽  
Solid Oxide Fuel Cell ◽  
Phase Boundary ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Reactive Force ◽  
Triple Phase Boundary ◽  
Field Modeling ◽  
Reaxff Reactive Force Field

Lithium-electrolyte solvation and reaction in the electrolyte of a lithium ion battery: A ReaxFF reactive force field study

2020 ◽  
Vol 152 (18) ◽  
pp. 184301
Author(s):  
Md Jamil Hossain ◽  
Gorakh Pawar ◽  
Boryann Liaw ◽  
Kevin L. Gering ◽  
Eric J. Dufek ◽  
...  
Keyword(s):  
Force Field ◽  
Field Study ◽  
Lithium Ion Battery ◽  
Lithium Ion ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Reaxff Reactive Force Field

Development of a ReaxFF reactive force field for lithium ion conducting solid electrolyte Li1+xAlxTi2−x(PO4)3 (LATP)

2018 ◽  
Vol 20 (34) ◽  
pp. 22134-22147 ◽  
Author(s):  
Yun Kyung Shin ◽  
Mert Y. Sengul ◽  
A. S. M. Jonayat ◽  
Wonho Lee ◽  
Enrique D. Gomez ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
Force Field ◽  
Solid Electrolyte ◽  
Lithium Ion ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Reaxff Reactive Force Field ◽  
Ion Conducting

Using a ReaxFF reactive force field, we investigated the composition-dependent ionic conductivity and the Li migration behaviors in Li1+xAlxTi2−x(PO4)3 solid electrolyte.

New Insight into Microstructure Engineering of Ni‐Rich Layered Oxide Cathode for High Performance Lithium Ion Batteries

2021 ◽  
pp. 2010095
Author(s):  
Chul‐Ho Jung ◽  
Do‐Hoon Kim ◽  
Donggun Eum ◽  
Kyeong‐Ho Kim ◽  
Jonghyun Choi ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
High Performance ◽  
Lithium Ion ◽  
Layered Oxide ◽  
Oxide Cathode ◽  
Insight Into

Efficient lithium storage from modified vertically aligned carbon nanotubes with open-ends

RSC Advances ◽  
2015 ◽  
Vol 5 (84) ◽  
pp. 68875-68880 ◽  
Author(s):  
Hyun Young Jung ◽  
Sanghyun Hong ◽  
Ami Yu ◽  
Sung Mi Jung ◽  
Sun Kyoung Jeoung ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Lithium Ion Batteries ◽  
Anode Material ◽  
Lithium Ion ◽  
Lithium Storage ◽  
Vertically Aligned Carbon Nanotubes ◽  
Structure And Morphology ◽  
Aligned Carbon Nanotubes ◽  
Vertically Aligned ◽  
Controlled Structure

Herein, we report the use of vertically aligned carbon nanotubes (VA-CNTs) with controlled structure and morphology as an anode material for lithium-ion batteries.

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