Electrolyte solvents for high voltage lithium ion batteries: ion correlation and specific anion effects in adiponitrile

2018 ◽  
Vol 20 (40) ◽  
pp. 25701-25715 ◽  
Author(s):  
Anand Narayanan Kirshnamoorthy ◽  
Kristina Oldiges ◽  
Martin Winter ◽  
Andreas Heuer ◽  
Isidora Cekic-Laskovic ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Experimental Study ◽  
Lithium Ion Batteries ◽  
High Voltage ◽  
Quantum Chemical ◽  
Lithium Ion

Combined atomistic molecular dynamics, quantum chemical, and experimental study regarding the properties of two lithium conducting salts in high voltage electrolyte solvent adiponitrile.

On the sulfur doping of γ-graphdiyne: A Molecular Dynamics and DFT study

MRS Advances ◽  
2020 ◽  
Vol 5 (52-53) ◽  
pp. 2701-2706
Author(s):  
Eliezer Fernando Oliveira ◽  
Augusto Batagin-Neto ◽  
Douglas Soares Galvao
Keyword(s):  
Molecular Dynamics ◽  
Density Functional Theory ◽  
Experimental Study ◽  
Lithium Ion Batteries ◽  
Density Functional ◽  
Lithium Ion ◽  
Complete Understanding ◽  
Functional Theory ◽  
Sulfur Doping ◽  
New Material

AbstractRecently, an experimental study developed an efficient way to obtain sulfur-doped γ-graphdiyne. This study has shown that this new material could have promising applications in lithium-ion batteries, but the complete understanding of how the sulfur atoms are incorporated into the graphdiyne network is still missing. In this work, we have investigated the sulfur doping process through molecular dynamics and density functional theory simulations. Our results suggest that the doped induced distortions of the γ-graphdiyne pores prevent the incorporation of more than two sulfur atoms. The most common configuration is the incorporation of just one sulfur atom per the graphdiyne pore.

Superior high voltage LiNi0.6Co0.2Mn0.2O2 cathode using Li3PO4 coating for lithium-ion batteries

2021 ◽  
Author(s):  
Jong Hun Sung ◽  
Tae Wan Kim ◽  
Hyeong-Ku Kang ◽  
So Young Choi ◽  
Fuead Hasan ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
High Voltage ◽  
Lithium Ion

scholarly journals High-Voltage “Single-Crystal” Cathode Materials for Lithium-Ion Batteries

2021 ◽  
Vol 35 (3) ◽  
pp. 1918-1932
Author(s):  
Yinzhong Wang ◽  
Errui Wang ◽  
Xu Zhang ◽  
Haijun Yu
Keyword(s):  
Single Crystal ◽  
Lithium Ion Batteries ◽  
High Voltage ◽  
Cathode Materials ◽  
Lithium Ion

Ionic liquid electrolytes for high-voltage, lithium-ion batteries

2020 ◽  
Vol 479 ◽  
pp. 228791 ◽  
Author(s):  
S. Brutti ◽  
E. Simonetti ◽  
M. De Francesco ◽  
A. Sarra ◽  
A. Paolone ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Lithium Ion Batteries ◽  
High Voltage ◽  
Lithium Ion ◽  
Liquid Electrolytes
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