Thermodynamic and kinetic studies of LiNi0.5Co0.2Mn0.3O2 as a positive electrode material for Li-ion batteries using first principles

2016 ◽  
Vol 18 (9) ◽  
pp. 6799-6812 ◽  
Author(s):  
Mudit Dixit ◽  
Monica Kosa ◽  
Onit Srur Lavi ◽  
Boris Markovsky ◽  
Doron Aurbach ◽  
...  
Keyword(s):  
First Principles ◽  
Kinetic Studies ◽  
Cation Ordering ◽  
Li Ion Batteries ◽  
Diffusion Kinetics ◽  
Multi Scale ◽  
Positive Electrode Material ◽  
Li Ion ◽  
Kinetics Of ◽  
And Diffusion

The cation ordering, thermodynamics and diffusion kinetics of LiNi0.5Co0.2Mn0.3O2 (NCM-523) are studied using multi-scale funnel approach with vdW corrections.

Comparative Studies on VS2 Bilayer and VS2/Graphene Heterostructure as the Anodes of Li Ion Battery

2021 ◽  
Vol 894 ◽  
pp. 61-66
Author(s):  
Rui Zhi Dong
Keyword(s):  
Binding Energy ◽  
Diffusion Barrier ◽  
First Principles ◽  
Electronic Devices ◽  
Lithium Ion ◽  
First Principles Calculations ◽  
Li Ion Batteries ◽  
Capacity Loss ◽  
Li Ion ◽  
And Diffusion

Due to the development of various mobile electronic devices, such as electric vehicles, rechargeable ion batteries are becoming more and more important. However, the current commercial lithium-ion batteries have obvious defects, including poor safety from Li dendrite and flammable electrolyte, quick capacity loss and low charging and discharging rate. It is very important to find a better two-dimensional material as the anode of the battery to recover the disadvantages. In this paper, first principles calculations are used to explore the performances of VS2 bilayer and VS2 / graphene heterostructure as the anodes of Li ion batteries. Based on the calculation of the valences, binding energy, intercalation voltage, charge transfer and diffusion barrier of Li, it is found that the latter can be used as a better anode material from the perspective of insertion voltage and binding energy. At the same time, the former one is better in terms of diffusion barrier. Our study provides a comprehensive understanding on VS2 based 2D anodes.

Diffusion kinetics of water in graphite anodes for Li-ion batteries

2020 ◽  
pp. 1-16
Author(s):  
Jochen C. Eser ◽  
Birthe Deichmann ◽  
Tobias Wirsching ◽  
Lisa Merklein ◽  
Marcus Müller ◽  
...  
Keyword(s):  
Li Ion Batteries ◽  
Diffusion Kinetics ◽  
Graphite Anodes ◽  
Li Ion ◽  
Kinetics Of

Revealing the correlation between structural evolution and Li+ diffusion kinetics of nickel-rich cathode materials in Li-ion batteries

2020 ◽  
Vol 8 (17) ◽  
pp. 8540-8547 ◽  
Author(s):  
Chaoyu Hong ◽  
Qianyi Leng ◽  
Jianping Zhu ◽  
Shiyao Zheng ◽  
Huajin He ◽  
...  
Keyword(s):  
Diffusion Rate ◽  
Structural Evolution ◽  
Discharge Process ◽  
Li Ion Batteries ◽  
Diffusion Kinetics ◽  
Irreversible Capacity ◽  
Capacity Loss ◽  
Lithium Diffusion ◽  
Li Ion ◽  
Kinetics Of

Slow lithium diffusion kinetics of H1 phase during discharge determines the initial irreversible capacity loss of NCM-based materials. By controlling lithium diffusion rate in the discharge process, extra capacity is obtained in the materials.

Unraveling improved electrochemical kinetics of In2Te3-based anodes embedded in hybrid matrix for Li-ion batteries

2022 ◽  
Vol 429 ◽  
pp. 132395
Author(s):  
Seongjoon So ◽  
Jaewook Ko ◽  
Yong Nam Ahn ◽  
Il Tae Kim ◽  
Jaehyun Hur
Keyword(s):  
Electrochemical Kinetics ◽  
Li Ion Batteries ◽  
Hybrid Matrix ◽  
Li Ion ◽  
Kinetics Of

scholarly journals Computational screening of phosphite derivatives as high-performance additives in high-voltage Li-ion batteries

RSC Advances ◽  
2017 ◽  
Vol 7 (32) ◽  
pp. 20049-20056 ◽  
Author(s):  
Young-Kyu Han ◽  
Jaeik Yoo ◽  
Taeeun Yim
Keyword(s):  
High Voltage ◽  
First Principles ◽  
High Performance ◽  
First Principles Calculations ◽  
Li Ion Batteries ◽  
Computational Screening ◽  
Screening Protocol ◽  
Li Ion ◽  
Performance Additives ◽  
Additive Materials

We presented a computational screening protocol for the efficient development of cathode-electrolyte interphase (CEI)-forming additive materialsviathe first-principles calculations.

Revisiting graphene–polymer nanocomposite for enhancing anticorrosion performance: a new insight into interface chemistry and diffusion model

Nanoscale ◽  
2018 ◽  
Vol 10 (26) ◽  
pp. 12612-12624 ◽  
Author(s):  
Dipak Dutta ◽  
Andita Nataria Fitri Ganda ◽  
Jui-Kung Chih ◽  
Cheng-Chun Huang ◽  
Chung-Jen Tseng ◽  
...  
Keyword(s):  
Galvanic Corrosion ◽  
Polymer Nanocomposite ◽  
Diffusion Kinetics ◽  
Interfacial Chemistry ◽  
Interface Chemistry ◽  
Graphene Nanocomposite ◽  
Kinetics Of ◽  
And Diffusion ◽  
Insight Into ◽  
Percolation Network

The interfacial chemistry and diffusion kinetics of a polymer–graphene nanocomposite anticorrosion coating were studied to minimize galvanic corrosion facilitated by the formation of an interconnected graphene percolation network.

Sign in / Sign up

Export Citation Format

Share Document