scholarly journals The predicted crystal structure of Li4C6O6, an organic cathode material for Li-ion batteries, from first-principles multi-level computational methods

2011 ◽  
Vol 4 (12) ◽  
pp. 4938 ◽  
Author(s):  
Dong-Hwa Seo ◽  
Hyungjun Kim ◽  
Haegyeom Kim ◽  
William A. Goddard ◽  
Kisuk Kang
Keyword(s):  
Crystal Structure ◽  
Cathode Material ◽  
Computational Methods ◽  
First Principles ◽  
Li Ion Batteries ◽  
Li Ion ◽  
Multi Level

scholarly journals First-principles investigation of a β-MnO2 and graphene composite as a promising cathode material for rechargeable Li-ion batteries

RSC Advances ◽  
2017 ◽  
Vol 7 (47) ◽  
pp. 29821-29826 ◽  
Author(s):  
Renhui Zhang ◽  
Juan Zhao ◽  
Lei Guo ◽  
Hangdao Qin ◽  
Wei Shi ◽  
...  
Keyword(s):  
Cathode Material ◽  
First Principles ◽  
Li Ion Batteries ◽  
Graphene Composite ◽  
Synergistic Mechanism ◽  
Li Ion ◽  
The Stability

In this investigation, we studied the effect of the synergistic mechanism on the stability and the electronic and Li diffusion performance of a β-MnO2 and graphene composite.

Preparation, structure and electrochemistry of LiFeBO3: a cathode material for Li-ion batteries

2014 ◽  
Vol 2 (7) ◽  
pp. 2060-2070 ◽  
Author(s):  
L. Tao ◽  
G. Rousse ◽  
J. N. Chotard ◽  
L. Dupont ◽  
S. Bruyère ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Cathode Material ◽  
Powder Diffraction ◽  
Structure Determination ◽  
High Purity ◽  
Neutron Powder Diffraction ◽  
Single Crystal Xrd ◽  
Li Ion Batteries ◽  
Li Ion ◽  
Synchrotron Xrd

The preparation of high-purity LiFeBO3 has been reported, which ensures an accurate crystal structure determination through synchrotron XRD, neutron powder diffraction, single crystal XRD combined with 6Li NMR and 57Fe Mössbauer spectroscopies.

scholarly journals First-principles Study on Metal-doped LiNi0.5Mn1.5O4as a Cathode Material for Rechargeable Li-Ion Batteries

2013 ◽  
Vol 71 (07) ◽  
pp. 1029 ◽  
Author(s):  
Siqi Yang ◽  
Tianran Zhang ◽  
Zhanliang Tao ◽  
Jun Chen
Keyword(s):  
Cathode Material ◽  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion ◽  
Metal Doped

Synthesis, crystal structure and electrochemical properties of LiFePO4F cathode material for Li-ion batteries

2014 ◽  
Vol 147 ◽  
pp. 663-668 ◽  
Author(s):  
D. Chen ◽  
G.-Q. Shao ◽  
B. Li ◽  
G.-G. Zhao ◽  
J. Li ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Cathode Material ◽  
Electrochemical Properties ◽  
Li Ion Batteries ◽  
Li Ion

First-Principles Study of Lithium Borocarbide as a Cathode Material for Rechargeable Li ion Batteries

2011 ◽  
Vol 2 (10) ◽  
pp. 1129-1132 ◽  
Author(s):  
Qiang Xu ◽  
Chunmei Ban ◽  
Anne C. Dillon ◽  
Su-Huai Wei ◽  
Yufeng Zhao
Keyword(s):  
Cathode Material ◽  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion

The mechanism of V-modification in Li2CoSiO4 cathode material for Li-ion batteries: A combined first-principles and experimental study

2020 ◽  
Vol 353 ◽  
pp. 136564 ◽  
Author(s):  
Liyuan Huai ◽  
Wenqiang Du ◽  
Zhifeng Zhang ◽  
Xianhui Zhang ◽  
Zhiyong Zhang ◽  
...  
Keyword(s):  
Experimental Study ◽  
Cathode Material ◽  
First Principles ◽  
Li Ion Batteries ◽  
Li Ion
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