Chelate Effects in Glyme/Lithium Bis(trifluoromethanesulfonyl)amide Solvate Ionic Liquids, Part 2: Importance of Solvate-Structure Stability for Electrolytes of Lithium Batteries

2014 ◽  
Vol 118 (31) ◽  
pp. 17362-17373 ◽  
Author(s):  
Ce Zhang ◽  
Azusa Yamazaki ◽  
Junichi Murai ◽  
Jun-Woo Park ◽  
Toshihiko Mandai ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Lithium Batteries ◽  
Structure Stability

scholarly journals Performances of different DFT functionals to calculate the anodic limit of fluorinated sulphonyl-imide anions for lithium cells

2021 ◽  
Vol 2090 (1) ◽  
pp. 012078
Author(s):  
A Paolone ◽  
S Brutti
Keyword(s):  
Ionic Liquids ◽  
Lithium Batteries ◽  
Basis Set ◽  
Basis Sets ◽  
Computational Time ◽  
Generalized Gradient ◽  
Neutral Species ◽  
Generalized Gradient Approximation ◽  
Model Based ◽  
Computationally Expensive

Abstract In this paper we investigated the calculation of the anodic limit of two anions of ionic liquids, largely used as electrolyte of lithium batteries. Starting from a model based on calculations performed on single ions at the MP2 level of theory, we showed that the matching between calculation and experiments decreases while using more expanded basis set with respect to 6-31G**, possibly because of the destabilization of the neutral species when larger basis sets are considered. Additionally, in order to decrease the computational time, the performances for the calculation of the anodic limit obtained by means of a series of DFT functionals with increasing level of complexity (from the Generalized Gradient Approximation to the Range Separated Hybrid meta-Generalized Gradient Approximation) were compared. Overall, the best performing functionals are BMK, ωB97M-V and MN12-SX, while acceptable results can be obtained by M06-2X, M11, M08-HX and M11-L. Some less computationally expensive functionals, like CAM-B3LYP and ωB97X-D, also provide reasonable values of the anodic limit.

Eutectic Ionic Liquids for Lithium Batteries

2017 ◽  
Vol 80 (10) ◽  
pp. 1139-1146 ◽  
Author(s):  
Qianwen Huang ◽  
Burcu Gurkan
Keyword(s):  
Ionic Liquids ◽  
Lithium Batteries

scholarly journals Structure, stability and behaviour of nucleic acids in ionic liquids

2014 ◽  
Vol 42 (14) ◽  
pp. 8831-8844 ◽  
Author(s):  
Hisae Tateishi-Karimata ◽  
Naoki Sugimoto
Keyword(s):  
Ionic Liquids ◽  
Nucleic Acids ◽  
Structure Stability

scholarly journals Ionic liquids for rechargeable lithium batteries

2005 ◽  
Author(s):  
Justin Salminen ◽  
Nicolas Papaiconomou ◽  
John Kerr ◽  
John Prausnitz ◽  
John Newman
Keyword(s):  
Ionic Liquids ◽  
Lithium Batteries ◽  
Rechargeable Lithium Batteries

scholarly journals Liquid Structures and Transport Properties of Lithium Bis(fluorosulfonyl)amide/Glyme Solvate Ionic Liquids for Lithium Batteries

2019 ◽  
Vol 72 (2) ◽  
pp. 70 ◽  
Author(s):  
Shoshi Terada ◽  
Kohei Ikeda ◽  
Kazuhide Ueno ◽  
Kaoru Dokko ◽  
Masayoshi Watanabe
Keyword(s):  
Ionic Liquids ◽  
Transport Properties ◽  
Lithium Batteries ◽  
Diffusion Coefficients ◽  
The Self ◽  
Metal Anode ◽  
Self Diffusion ◽  
Molar Ratios ◽  
Li Metal Anode ◽  
A Current

The liquid structures and transport properties of electrolytes composed of lithium bis(fluorosulfonyl)amide (Li[FSA]) and glyme (triglyme (G3) or tetraglyme (G4)) were investigated. Raman spectroscopy indicated that the 1:1 mixtures of Li[FSA] and glyme (G3 or G4) are solvate ionic liquids (SILs) comprising a cationic [Li(glyme)]+ complex and the [FSA]− anion. In Li[FSA]-excess liquids with Li[FSA]/glyme molar ratios greater than 1, anionic Lix[FSA]y(y–x)– complexes were formed in addition to the cationic [Li(glyme)]+ complex. Pulsed field gradient NMR measurements revealed that the self-diffusion coefficients of Li+ (DLi) and glyme (Dglyme) are identical in the Li[FSA]/glyme=1 liquid, suggesting that Li+ and glyme diffuse together and that a long-lived cationic [Li(glyme)]+ complex is formed in the SIL. The ratio of the self-diffusion coefficients of [FSA]− and Li+, DFSA/DLi, was essentially constant at ~1.1–1.3 in the Li[FSA]/glyme<1 liquid. However, DFSA/DLi increased rapidly as the amount of Li[FSA] increased in the Li[FSA]/glyme>1 liquid, indicating that the ion transport mechanism in the electrolyte changed at the composition of Li[FSA]/glyme=1. The oxidative stability of the electrolytes was enhanced as the Li[FSA] concentration increased. Furthermore, Al corrosion was suppressed in the electrolytes for which Li[FSA]/glyme>1. A battery consisting of a Li metal anode, a LiNi1/3Mn1/3Co1/3O2 cathode, and Li[FSA]/G3=2 electrolyte exhibited a discharge capacity of 105mAhg−1 at a current density of 1.3mAcm−2, regardless of its low ionic conductivity of 0.2mScm−1.

Novel bis(fluorosulfonyl)imide-based and ether-functionalized ionic liquids for lithium batteries with improved cycling properties

2019 ◽  
Vol 293 ◽  
pp. 160-165 ◽  
Author(s):  
Akiko Tsurumaki ◽  
Hiroyuki Ohno ◽  
Stefania Panero ◽  
Maria Assunta Navarra
Keyword(s):  
Ionic Liquids ◽  
Lithium Batteries

Enhanced safety and galvanostatic performance of high voltage lithium batteries by using ionic liquids

2019 ◽  
Vol 316 ◽  
pp. 1-7 ◽  
Author(s):  
Akiko Tsurumaki ◽  
Marco Agostini ◽  
Ruggero Poiana ◽  
Lucia Lombardo ◽  
Ernestino Lufrano ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
High Voltage ◽  
Lithium Batteries
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