scholarly journals First-principles study of effects of Ga, Ge and As doping on electrochemical properties and electronic structure of Li2CoSiO4 serving as cathode material for Li-ion batteries

2019 ◽  
Vol 68 (18) ◽  
pp. 187101
Author(s):  
Xiao-Tong Yan ◽  
Yu-Hua Hou ◽  
Shou-Hong Zheng ◽  
You-Lin Huang ◽  
Xiao-Ma Tao
Keyword(s):  
Electronic Structure ◽  
Cathode Material ◽  
Electrochemical Properties ◽  
First Principles ◽  
Li Ion Batteries ◽  
As Doping ◽  
First Principles Study ◽  
Li Ion

Li intercalation mechanisms in CaTi5O11, a bronze-B derived compound

2016 ◽  
Vol 18 (47) ◽  
pp. 32042-32049 ◽  
Author(s):  
Donghee Chang ◽  
Anton Van der Ven
Keyword(s):  
Electrochemical Properties ◽  
Anode Material ◽  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion

A first-principles study was performed to elucidate the electrochemical properties of CaTi5O11, a recently discovered compound that is a crystallographic variant of TiO2(B) and that shows promise as an anode material for Li-ion batteries.

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

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

Synthesis and electrochemical properties of LiMnPO4-modified Li[Li0.2Mn0.534Co0.133Ni0.133]O2 cathode material for Li-ion batteries

2017 ◽  
Vol 235 ◽  
pp. 1-9 ◽  
Author(s):  
Yang Xia ◽  
Hua Zhu ◽  
Chu Liang ◽  
Zhen Xiao ◽  
Yongping Gan ◽  
...  
Keyword(s):  
Cathode Material ◽  
Electrochemical Properties ◽  
Li Ion Batteries ◽  
Li Ion

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.

First-principles study of MoSSe_graphene heterostructures as anode for Li-ion batteries

2020 ◽  
Vol 529 ◽  
pp. 110583 ◽  
Author(s):  
Sheng-Hua Zhou ◽  
Jing Zhang ◽  
Zhen-Zhen Ren ◽  
Jia-Fang Gu ◽  
Yu-Rong Ren ◽  
...  
Keyword(s):  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion
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