Lithiation behavior of graphene-silicon composite as high performance anode for lithium-ion battery: A first principles study

2019 ◽  
Vol 463 ◽  
pp. 610-615 ◽  
Author(s):  
Feng Zhou ◽  
Ningbo Liao ◽  
Miao Zhang ◽  
Wei Xue
Keyword(s):  
Lithium Ion Battery ◽  
First Principles ◽  
High Performance ◽  
Lithium Ion ◽  
First Principles Study

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.

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

First-principles study on h-BSi3 sheet as a promising high-performance anode for sodium-ion batteries

2021 ◽  
Author(s):  
Sankha Ghosh
Keyword(s):  
Lithium Ion Batteries ◽  
First Principles ◽  
High Performance ◽  
Lithium Ion ◽  
Sodium Ion ◽  
Earth’S Crust ◽  
Sodium Ion Batteries ◽  
First Principles Study ◽  
Earth's Crust

Seeking cheap, efficient and sustainable alternatives to lithium-ion batteries (LIBs), sodium-ion batteries (SIBs) has emerged as a realm of research, due to the abundance of Na in the earth's crust.

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.

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