Ab initio identification of the Li-rich phase in LiFePO4

2018 ◽  
Vol 20 (25) ◽  
pp. 17497-17503 ◽  
Author(s):  
Hua Zeng ◽  
Yue Gu ◽  
Gaofeng Teng ◽  
Yimeng Liu ◽  
Jiaxin Zheng ◽  
...  

This article provides a systematic theoretical study of Li-rich phase Li1+xFe1−xPO4 (x ≤ 12.5%) cathode materials 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 ◽  
...  

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


Ionics ◽  
2016 ◽  
Vol 22 (9) ◽  
pp. 1551-1556 ◽  
Author(s):  
K. Rajammal ◽  
D. Sivakumar ◽  
Navaneethan Duraisamy ◽  
K. Ramesh ◽  
S. Ramesh

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