2022
DOI: 10.1039/d1ta10592b
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Tuning aprotic solvent properties with long alkyl chain ionic liquid for lithium-based electrolytes

Abstract: Lithium-metal batteries, such as Li – O2 , are one of the most promising candidates for high-performance energy storage applications, however, their performance is still limited by the electrolyte instability....

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Cited by 12 publications
(4 citation statements)
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“…In the case of cations, the alkyl chains showed the common conformation of ammonium groups that has been reported in other studies [63][64][65]. Regarding the interactions, the -COO − bonds in the anions oriented themselves preferably toward the front of the cation methyl groups, as has been found for other anionic species interacting with alkylammonium structures [64,66,67].…”
Section: Computer-simulation Analysissupporting
confidence: 75%
See 1 more Smart Citation
“…In the case of cations, the alkyl chains showed the common conformation of ammonium groups that has been reported in other studies [63][64][65]. Regarding the interactions, the -COO − bonds in the anions oriented themselves preferably toward the front of the cation methyl groups, as has been found for other anionic species interacting with alkylammonium structures [64,66,67].…”
Section: Computer-simulation Analysissupporting
confidence: 75%
“…In the case of cations, the alkyl chains showed the common conformation of ammonium groups that has been reported in other studies [63][64][65]. Regarding the interactions, the -COO − bonds in the anions oriented themselves preferably toward the front of the cation methyl groups, as has been found for other anionic species interacting with alkylammonium structures [64,66,67]. As can be observed in Table 5, MEP analysis of the isosurface allowed the regions of the molecule that were reactive sites for electrophilic and nucleophilic attacks to be identified through a color scale [63,68]: The red regions are associated with the most electronegative atoms and resonant rings, which are the molecule sites that are more susceptible to electrophilic attacks, i.e., that cede e − to the steel surface to form coordinate bonds with the empty Fe d-orbital.…”
Section: Il Optimized Structure Mepsupporting
confidence: 73%
“…Thus, the change from a traditional solvent to less conventional medium, such as ionic liquid (IL), deserves to be researched carefully. In recent year, ILs have been recognized as environmentally friendly “green solvents” and have attracted more attention due to their outstanding properties, such as non-volatility, good thermal and chemical stability, negligible flammability, and tunability [ 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 ]. In cationic polymerization, the distance and interactions between the active center and counter ion are very important for the reaction [ 12 , 13 , 14 , 15 ].…”
Section: Introductionmentioning
confidence: 99%
“…2b). 16,17 In particular, the simultaneous increase in the ionic conductivity and viscosity at the FRPA concentration of below 10 wt% might be attributed to the coordinating interaction of the –CN functional group of FRPA with the Li-ion to improve the Li-ion dissociation and mobility as mentioned above.…”
mentioning
confidence: 96%