Evaluating Pristine and Modified SnS2as a Lithium-Ion Battery Anode: A First-Principles Study

2015 ◽  
Vol 7 (7) ◽  
pp. 4000-4009 ◽  
Author(s):  
Zhixiao Liu ◽  
Huiqiu Deng ◽  
Partha P. Mukherjee
Keyword(s):  
Lithium Ion Battery ◽  
First Principles ◽  
Lithium Ion ◽  
First Principles Study ◽  
Battery Anode

Enhanced performance of Mo2P monolayer as lithium-ion battery anode materials by carbon and nitrogen doping: a first principles study

2021 ◽  
Vol 23 (6) ◽  
pp. 4030-4038
Author(s):  
Xinghui Liu ◽  
Shiru Lin ◽  
Jian Gao ◽  
Hu Shi ◽  
Seong-Gon Kim ◽  
...  
Keyword(s):  
Lithium Ion Battery ◽  
First Principles ◽  
Energy Barrier ◽  
Anode Materials ◽  
Nitrogen Doping ◽  
High Capacity ◽  
Lithium Ion ◽  
Carbon And Nitrogen ◽  
Nitrogen Doped ◽  
Battery Anode

Simple carbon (nitrogen) doped Mo2P as promoting lithium-ion battery anode materials with extremely low energy barrier and high capacity.

First-principles study on S and N doping graphene/SnS2 heterostructure for lithium-ion battery

2021 ◽  
Vol 769 ◽  
pp. 138391
Author(s):  
Congying Wang ◽  
Xirui Zhang ◽  
Yan Qian ◽  
Haiping Wu ◽  
Erjun Kan
Keyword(s):  
Lithium Ion Battery ◽  
First Principles ◽  
Lithium Ion ◽  
First Principles Study ◽  
N Doping

scholarly journals A first principles study of spinel ZnFe2O4 for electrode materials in lithium-ion batteries

2017 ◽  
Vol 19 (38) ◽  
pp. 26322-26329 ◽  
Author(s):  
Haoyue Guo ◽  
Yiman Zhang ◽  
Amy C. Marschilok ◽  
Kenneth J. Takeuchi ◽  
Esther S. Takeuchi ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Lithium Ion Battery ◽  
First Principles ◽  
High Performance ◽  
Electrode Materials ◽  
Lithium Ion ◽  
Battery Materials ◽  
First Principles Study

The interplay among Li, O2−, Fe3+ and Zn2+ enables the high performance of ZnFe2O4 as Lithium ion battery materials.

The electrochemical properties of Co3O4 as a lithium-ion battery electrode: a first-principles study

2018 ◽  
Vol 20 (38) ◽  
pp. 25016-25022 ◽  
Author(s):  
Wei-Wei Liu ◽  
Woon-Ming Lau ◽  
Yanning Zhang
Keyword(s):  
Electrochemical Properties ◽  
Surface Structure ◽  
Lithium Ion Battery ◽  
First Principles ◽  
Rate Capability ◽  
Lithium Ion ◽  
Step Process ◽  
First Principles Study ◽  
Battery Electrode

Obvious structure distortions and volume expansions occur for LinCo3O4 with n > 1. The distorted surface structure of Li/Co3O4(110) also reduces the rate capability of Co3O4 anode. The lithiation process of LinCo3O4 follows a two-step process of Co3O4 → CoO → Co.

Sign in / Sign up

Export Citation Format

Share Document