First-principles investigation of the new phases and electrochemical properties of MoSi2 as the electrode materials of lithium ion battery

2019 ◽  
Vol 779 ◽  
pp. 813-820 ◽  
Author(s):  
Y. Pan
Keyword(s):  
Electrochemical Properties ◽  
Lithium Ion Battery ◽  
First Principles ◽  
Electrode Materials ◽  
Lithium Ion

Thermodynamic and redox properties of graphene oxides for lithium-ion battery applications: a first principles density functional theory modeling approach

2016 ◽  
Vol 18 (30) ◽  
pp. 20600-20606 ◽  
Author(s):  
Sunghee Kim ◽  
Ki Chul Kim ◽  
Seung Woo Lee ◽  
Seung Soon Jang
Keyword(s):  
Density Functional Theory ◽  
Lithium Ion Battery ◽  
Thermodynamic Stability ◽  
First Principles ◽  
Density Functional ◽  
Electrode Materials ◽  
Lithium Ion ◽  
Redox Properties ◽  
Graphene Oxides ◽  
Functional Theory

Understanding the thermodynamic stability and redox properties of oxygen functional groups on graphene is critical to systematically design stable graphene-based positive electrode materials with high potential for lithium-ion battery applications.

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.

Oxocarbon-functionalized graphene as a lithium-ion battery cathode: a first-principles investigation

2018 ◽  
Vol 20 (11) ◽  
pp. 7447-7456 ◽  
Author(s):  
Zicheng Wang ◽  
Shuzhou Li ◽  
Yaping Zhang ◽  
Huaizhe Xu
Keyword(s):  
Lithium Ion Battery ◽  
First Principles ◽  
Electrode Materials ◽  
Low Cost ◽  
Lithium Ion ◽  
Environmentally Friendly ◽  
Functionalized Graphene ◽  
Li Ion Battery ◽  
Battery Electrode ◽  
Li Ion

In recent years, organic-based, especially carbonyl-based, Li-ion battery electrode materials have attracted great attention due to their low-cost, environmentally friendly nature and strong Li-ion bonding abilities.

scholarly journals Ultrastretchable carbon nanotube composite electrodes for flexible lithium-ion batteries

Nanoscale ◽  
2018 ◽  
Vol 10 (42) ◽  
pp. 19972-19978 ◽  
Author(s):  
Yang Yu ◽  
Yufeng Luo ◽  
Hengcai Wu ◽  
Kaili Jiang ◽  
Qunqing Li ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Electrochemical Properties ◽  
Lithium Ion Batteries ◽  
Lithium Ion Battery ◽  
Electrode Materials ◽  
Lithium Ion ◽  
Composite Electrodes ◽  
High Durability ◽  
Carbon Nanotube Composite ◽  
Nanotube Films

Ultra-stretchable lithium-ion battery electrodes were fabricated by coating carbon nanotube films and electrode materials on a biaxially pre-strained polydimethylsiloxane substrate and forming wrinkled structures. The composite electrodes demonstrated ultra-stretchability, high durability, and excellent electrochemical properties.

scholarly journals Effect of Combined Conductive Polymer Binder on the Electrochemical Performance of Electrode Materials for Lithium-Ion Batteries

Energies ◽  
2020 ◽  
Vol 13 (9) ◽  
pp. 2163 ◽  
Author(s):  
Svetlana N. Eliseeva ◽  
Mikhail A. Kamenskii ◽  
Elena G. Tolstopyatova ◽  
Veniamin V. Kondratiev
Keyword(s):  
Electrochemical Performance ◽  
Electrochemical Properties ◽  
Lithium Ion Batteries ◽  
Lithium Ion Battery ◽  
Electrode Materials ◽  
Lithium Ion ◽  
Active Components ◽  
Electrode Potentials ◽  
Wide Range ◽  
Negative Electrodes

The electrodes of lithium-ion batteries (LIBs) are multicomponent systems and their electrochemical properties are influenced by each component, therefore the composition of electrodes should be properly balanced. At the beginning of lithium-ion battery research, most attention was paid to the nature, size, and morphology peculiarities of inorganic active components as the main components which determine the functional properties of electrode materials. Over the past decade, considerable attention has been paid to development of new binders, as the binders have shown great effect on the electrochemical performance of electrodes in LIBs. The study of new conductive binders, in particular water-based binders with enhanced electronic and ionic conductivity, has become a trend in the development of new electrode materials, especially the conversion/alloying-type anodes. This mini-review provides a summary on the progress of current research of the effects of binders on the electrochemical properties of intercalation electrodes, with particular attention to the mechanisms of binder effects. The comparative analysis of effects of three different binders (PEDOT:PSS/CMC, CMC, and PVDF) for a number of oxide-based and phosphate-based positive and negative electrodes for lithium-ion batteries was performed based on literature and our own published research data. It reveals that the combined PEDOT:PSS/CMC binder can be considered as a versatile component of lithium-ion battery electrode materials (for both positive and negative electrodes), effective in the wide range of electrode potentials.

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
Sign in / Sign up

Export Citation Format

Share Document