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.

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

Two-dimensional VS2 monolayers as potential anode materials for lithium-ion batteries and beyond: first-principles calculations

2017 ◽  
Vol 5 (40) ◽  
pp. 21370-21377 ◽  
Author(s):  
Dashuai Wang ◽  
Yanhui Liu ◽  
Xing Meng ◽  
Yingjin Wei ◽  
Yingying Zhao ◽  
...  
Keyword(s):  
Electrochemical Properties ◽  
Lithium Ion Batteries ◽  
First Principles ◽  
Anode Materials ◽  
Lithium Ion ◽  
Two Dimensional ◽  
First Principles Calculations

VS2 monolayers exhibit promising electrochemical properties for Li-, K-, and Mg-ion batteries.

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

2019 ◽  
Vol 4 (2) ◽  
pp. 457-463 ◽  
Author(s):  
Junping Hu ◽  
Chuying Ouyang ◽  
Shengyuan A. Yang ◽  
Hui Ying Yang
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
First Principles ◽  
High Capacity ◽  
Lithium Ion ◽  
First Principles Calculations

We predict that germanium doping can help to turn graphene into an ideal LIB anode material with an extremely high capacity.

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.

Doped graphenes as anodes with large capacity for lithium-ion batteries

2016 ◽  
Vol 4 (35) ◽  
pp. 13407-13413 ◽  
Author(s):  
Liujiang Zhou ◽  
Z. F. Hou ◽  
Bo Gao ◽  
Thomas Frauenheim
Keyword(s):  
Lithium Ion Batteries ◽  
First Principles ◽  
Lithium Ion ◽  
Doping Effect ◽  
Chemical Doping ◽  
First Principles Calculations ◽  
Large Capacity ◽  
And Diffusion ◽  
Li Storage

To understand the chemical doping effect on the lithium (Li) storage of graphene, we have performed first-principles calculations to study the adsorption and diffusion of Li adatoms on boron (B)- and nitrogen (N)-doped graphenes, which include individual and paired B (and N) dopants in graphene.

First Principles Calculations on Lithium Diffusion near Surface and in Bulk of Fe-doped LiCoPO4

2021 ◽  
Author(s):  
Kuan-Ching Wu ◽  
Chieh-Ming Hsieh ◽  
Bor Kae Chang
Keyword(s):  
Cathode Material ◽  
Lithium Ion Batteries ◽  
High Voltage ◽  
First Principles ◽  
Energy Barrier ◽  
Lithium Ion ◽  
First Principles Calculations ◽  
Near Surface ◽  
Lithium Diffusion ◽  
Olivine Phosphate

The olivine phosphate LiCoPO4 is a prospective cathode material in high voltage lithium ion batteries. During lithium diffusion, the ions must overcome diffusion energy barrier near the surface and in...

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