First-principles study on screening doped TiO2(B) as an anode material with high conductivity and low lithium transport resistance for lithium-ion batteries

2019 ◽  
Vol 21 (32) ◽  
pp. 17985-17992
Author(s):  
Denglei Gao ◽  
Yanlei Wang ◽  
Jing Kong ◽  
Feng Huo ◽  
Sufan Wang ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
First Principles ◽  
Lithium Ion ◽  
High Conductivity ◽  
First Principles Calculations ◽  
Doped Tio2 ◽  
First Principles Study ◽  
Lithium Transport

We report how non-metal dopants affect the diffusion of Li in TiO2(B) completely using first-principles calculations.

Two-dimensional phosphorus carbide as a promising anode material for lithium-ion batteries

2018 ◽  
Vol 6 (25) ◽  
pp. 12029-12037 ◽  
Author(s):  
Wei Zhang ◽  
Jiuren Yin ◽  
Ping Zhang ◽  
Xianqiong Tang ◽  
Yanhuai Ding
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
First Principles ◽  
Lithium Ion ◽  
Two Dimensional ◽  
First Principles Calculations

Monolayer two-dimensional phosphorus carbide (γ-PC) has been intensively studied as a promising anode material for lithium-ion batteries with first-principles calculations.

First-principles study of monolayer Be2C as an anode material for lithium-ion batteries

2019 ◽  
Vol 126 (12) ◽  
pp. 125302 ◽  
Author(s):  
K. H. Yeoh ◽  
K.-H. Chew ◽  
Y. Z. Chu ◽  
T. L. Yoon ◽  
Rusi ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
First Principles ◽  
Lithium Ion ◽  
First Principles Study

scholarly journals First-principles calculations of an asymmetric MoO2/graphene nanocomposite as the anode material for lithium-ion batteries

RSC Advances ◽  
2020 ◽  
Vol 10 (71) ◽  
pp. 43312-43318
Author(s):  
Qiuyu Zhang ◽  
Dongyang Zhu ◽  
Xiaowei Li ◽  
Yihe Zhang
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
First Principles ◽  
Lithium Ion ◽  
First Principles Calculations ◽  
Graphene Nanocomposite ◽  
And Diffusion ◽  
Diffusion Properties

The structure of a nanocomposite constructed from MoO2 and graphene and its Li atom adsorption and diffusion properties.

scholarly journals Siligraphene as a promising anode material for lithium-ion batteries predicted from first-principles calculations

Nano Energy ◽  
2018 ◽  
Vol 49 ◽  
pp. 67-76 ◽  
Author(s):  
Hewen Wang ◽  
Musheng Wu ◽  
Xueling Lei ◽  
Zhengfang Tian ◽  
Bo Xu ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
First Principles ◽  
Lithium Ion ◽  
First Principles Calculations
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