Bond-valence Based Computational Design of High Performance Lithium Ion Battery Cathode Materials

2011 ◽  
Vol 1331 ◽  
Author(s):  
Stefan Adams

ABSTRACTLinking the bond valence mismatch to the absolute energy scale, a generally applicable Morse-type force-field is developed and applied to study ion conduction in mixed conducting solids using both an energy landscape approach and molecular dynamics (MD) simulations. Exploring strategies to enhance the power performance of safe low cost lithium ion battery cathode materials, amblygonite-type “high voltage” cathode materials LiVPO4F and LiFeSO4F are used as examples. The amblygonite-type structure exhibits channels for low-energy migration in combination with moderate energy thresholds for "back-up" pathways in perpendicular directions mitigating the effects of channel blocking in mixed conductors with strictly one-dimensional Li+ motion.

CrystEngComm ◽  
2020 ◽  
Vol 22 (9) ◽  
pp. 1514-1530 ◽  
Author(s):  
Hongxu Dong ◽  
Gary M. Koenig

Interest in developing high performance lithium-ion rechargeable batteries has motivated research in precise control over the composition, phase, and morphology during materials synthesis of battery active material particles.


Ionics ◽  
2019 ◽  
Vol 25 (7) ◽  
pp. 2997-3007 ◽  
Author(s):  
Liwei An ◽  
Zhenfei Li ◽  
Xin Ren ◽  
Li Wang ◽  
Guangchuan Liang

Author(s):  
Fangkun Li ◽  
Zhengbo Liu ◽  
Jiadong Shen ◽  
Xijun Xu ◽  
Liyan Zeng ◽  
...  

Ni-rich LiNixCoyMn1-x-yO2 (x 0.6) layered oxide cathodes are one of the most promising cathode materials for lithium-ion batteries owing to their superior capacity, prominent energy density and low cost. However,...


2017 ◽  
Vol 53 (89) ◽  
pp. 12080-12083 ◽  
Author(s):  
Quan Xu ◽  
Jian-Kun Sun ◽  
Ge Li ◽  
Jin-Yi Li ◽  
Ya-Xia Yin ◽  
...  

A demulsification process is tactfully utilized to fabricate SiOx/C materials with excellent electrochemical performances at low-cost and high manufacturing efficiency.


2020 ◽  
Vol 22 (19) ◽  
pp. 6489-6496
Author(s):  
Juan Yang ◽  
Wenyu Wang ◽  
Huimeng Yang ◽  
Dihua Wang

A non-destructive molten salt approach was proposed for the one-pot regeneration of spent LiCoO2 as new cathode materials.


2017 ◽  
Vol 34 (6) ◽  
pp. 551
Author(s):  
Chuan Shi ◽  
Yongliang Li ◽  
Xiangzhong Ren ◽  
Libo Deng ◽  
Yuan Gao ◽  
...  

RSC Advances ◽  
2014 ◽  
Vol 4 (52) ◽  
pp. 27488-27492 ◽  
Author(s):  
Xiayin Yao ◽  
Junhua Kong ◽  
Xiaosheng Tang ◽  
Dan Zhou ◽  
Chenyang Zhao ◽  
...  

Porous CoFe2O4 nanosheets are prepared via a low-cost and scalable process and are shown to be high-performance anode materials for lithium-ion batteries.


2020 ◽  
Vol 49 (14) ◽  
pp. 4667-4680 ◽  
Author(s):  
Luyi Yang ◽  
Kai Yang ◽  
Jiaxin Zheng ◽  
Kang Xu ◽  
Khalil Amine ◽  
...  

The impact of surface structure and interface reconstruction on the electrochemical performances of lithium-ion battery cathode materials is summarized.


2018 ◽  
Vol 261 ◽  
pp. 491-502 ◽  
Author(s):  
Sepideh Behboudi-Khiavi ◽  
Mehran Javanbakht ◽  
Sayed Ahmad Mozaffari ◽  
Mehdi Ghaemi

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