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.

Mono and bi-layer germanene as prospective anode material for Li-ion batteries: A first-principles study

2018 ◽  
Vol 16 ◽  
pp. e00314 ◽  
Author(s):  
Durgesh Kumar Sharma ◽  
Sudhir Kumar ◽  
A. Laref ◽  
Sushil Auluck
Keyword(s):  
Anode Material ◽  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion

Oxygen-substituted borophene as a potential anode material for Li/Na-ion batteries: a first principles study

2021 ◽  
Vol 23 (15) ◽  
pp. 9270-9279
Author(s):  
Yao Wu ◽  
Bicheng Zhang ◽  
Jianhua Hou
Keyword(s):  
Anode Material ◽  
First Principles ◽  
Storage Capacity ◽  
Specific Capacity ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion ◽  
Theoretical Specific Capacity

After the first layer of Li atoms are adsorbed fully, the system of Li atoms adsorbed by h-B3O still remained stable. And a large theoretical specific capacity (1161 mA h g−1) ensures a good storage capacity of Li-ion batteries.

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

Electrochemical properties of mechanochemically synthesized CoSn2-C nanocomposite-type anode material for Li-ion batteries

2015 ◽  
Vol 269 ◽  
pp. 86-92 ◽  
Author(s):  
Xin Liu ◽  
Jingying Xie ◽  
Hailei Zhao ◽  
Pengpeng Lv ◽  
Ke Wang ◽  
...  
Keyword(s):  
Electrochemical Properties ◽  
Anode Material ◽  
Li Ion Batteries ◽  
Li Ion

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
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