C3N/blue phosphorene heterostructure as a high rate-capacity and stable anode material for lithium ion batteries: Insight from first principles calculations

2020 ◽  
Vol 505 ◽  
pp. 144518 ◽  
Author(s):  
He Lin ◽  
Rencheng Jin ◽  
Shunguan Zhu ◽  
Yong Huang
2018 ◽  
Vol 6 (25) ◽  
pp. 12029-12037 ◽  
Author(s):  
Wei Zhang ◽  
Jiuren Yin ◽  
Ping Zhang ◽  
Xianqiong Tang ◽  
Yanhuai Ding

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


RSC Advances ◽  
2020 ◽  
Vol 10 (71) ◽  
pp. 43312-43318
Author(s):  
Qiuyu Zhang ◽  
Dongyang Zhu ◽  
Xiaowei Li ◽  
Yihe Zhang

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


Nano Energy ◽  
2018 ◽  
Vol 49 ◽  
pp. 67-76 ◽  
Author(s):  
Hewen Wang ◽  
Musheng Wu ◽  
Xueling Lei ◽  
Zhengfang Tian ◽  
Bo Xu ◽  
...  

2019 ◽  
Vol 4 (2) ◽  
pp. 457-463 ◽  
Author(s):  
Junping Hu ◽  
Chuying Ouyang ◽  
Shengyuan A. Yang ◽  
Hui Ying Yang

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


2019 ◽  
Vol 21 (32) ◽  
pp. 17985-17992
Author(s):  
Denglei Gao ◽  
Yanlei Wang ◽  
Jing Kong ◽  
Feng Huo ◽  
Sufan Wang ◽  
...  

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


2017 ◽  
Vol 52 (12) ◽  
pp. 7140-7148 ◽  
Author(s):  
Lijuan Wang ◽  
Xiaojie Wang ◽  
Zhaohui Meng ◽  
Hongjiang Hou ◽  
Baokuan Chen

2016 ◽  
Vol 4 (35) ◽  
pp. 13407-13413 ◽  
Author(s):  
Liujiang Zhou ◽  
Z. F. Hou ◽  
Bo Gao ◽  
Thomas Frauenheim

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.


Author(s):  
Kuan-Ching Wu ◽  
Chieh-Ming Hsieh ◽  
Bor Kae Chang

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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