Ab Initio Calculations of Thermal Decomposition Mechanism of LiPF6-Based Electrolytes for Lithium-Ion Batteries

2013 ◽  
Vol 160 (2) ◽  
pp. A404-A409 ◽  
Author(s):  
Yasuharu Okamoto
Keyword(s):  
Thermal Decomposition ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Lithium Ion Batteries ◽  
Lithium Ion ◽  
Decomposition Mechanism ◽  
Thermal Decomposition Mechanism

Ab initio calculations of lithium titanates related to anodes of lithium-ion batteries

2020 ◽  
Vol 141 ◽  
pp. 109405 ◽  
Author(s):  
Sebastián Amaya-Roncancio ◽  
Luis Reinaudi ◽  
Susana Chauque ◽  
Fabiana Y. Oliva ◽  
Osvaldo R. Cámara ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Lithium Ion Batteries ◽  
Lithium Ion

Fluorinated Boroxin-Based Anion Receptors for Lithium Ion Batteries: Fluoride Anion Binding, Ab Initio Calculations, and Ionic Conductivity Studies

2009 ◽  
Vol 113 (20) ◽  
pp. 5918-5926 ◽  
Author(s):  
Nanditha G. Nair ◽  
Mario Blanco ◽  
William West ◽  
F. Christoph Weise ◽  
Steve Greenbaum ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Lithium Ion Batteries ◽  
Lithium Ion ◽  
Anion Binding ◽  
Fluoride Anion ◽  
Anion Receptors

Structural and electrochemical properties of Mg-doped nickel based cathode materials LiNi0.6Co0.2Mn0.2−xMgxO2 for lithium ion batteries

RSC Advances ◽  
2015 ◽  
Vol 5 (108) ◽  
pp. 88773-88779 ◽  
Author(s):  
Zhenjun Huang ◽  
Zhixing Wang ◽  
Xiaobo Zheng ◽  
Huajun Guo ◽  
Xinhai Li ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Electrochemical Properties ◽  
Ab Initio ◽  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
Lithium Ion ◽  
The Impact ◽  
Mg Doped

Combined with experiments and ab initio calculations, we investigated the impact of the substitution of Mn with Mg in LiNi0.6Co0.2Mn0.2O2.

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