Sodium-conducting ionic liquid-based electrolytes

Moreno, Judith Serra; Maresca, Giovanna; Panero, S.; Scrosati, B.; Appetecchi, Giovanni Battista

doi:10.1016/j.elecom.2014.02.010

Cited by 59 publications

(33 citation statements)

References 16 publications

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“…This is somehow expected, as this property obeys the Vogel–Fulcher–Tamman equation (VFT) . Note that experimental conductivities reported by Serra Moreno et al . are in agreement with the results obtained in this work and those by Tokuda et al .…”

Section: Resultssupporting

confidence: 92%

“…In analogy with the diffusion coefficient, the conductivity increases exponentially with temperature (note that Figures and are in logarithmic scale). This is somehow expected, as this property obeys the Vogel–Fulcher–Tamman equation (VFT) . Note that experimental conductivities reported by Serra Moreno et al .…”

Section: Resultssupporting

confidence: 71%

“…in the case of pure IL as shown in Figure S5 in the Supporting Information. Furthermore, Serra Moreno et al . provided ionic conductivities for electrolytes containing different ratios of (1− x )[C 4 PYR] + [Tf 2 N] − –( x )Na + [Tf 2 N] − and compared them with those containing Li + [Tf 2 N] − .…”

Section: Resultsmentioning

confidence: 99%

“…Although there are a few studies on the physical properties of ionic liquids containing Na + , further knowledge into the interactions between the Na + and ionic liquid moieties and their influence in the physical properties of the electrolyte is needed to progress beyond of the state of the art in IL‐based Na batteries.…”

Section: Introductionmentioning

confidence: 99%

“…As an example, a remarkable experimental observation in working electrolytes for Na‐based batteries with IL‐based electrolytes is the ubiquitous decrease in conductivity as more sodium salt is added to the electrolyte . In this regard, a strong interaction between Na + cations and [Tf 2 N] − anions has been reported in several studies .…”

Section: Introductionmentioning

confidence: 99%

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Quantum and Classical Molecular Dynamics of Ionic Liquid Electrolytes for Na/Li‐based Batteries: Molecular Origins of the Conductivity Behavior

et al. 2016

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Compositional effects on the charge-transport properties of electrolytes for batteries based on room-temperature ionic liquids (RTILs) are well-known. However, further understanding is required about the molecular origins of these effects, in particular regarding the replacement of Li by Na. In this work, we investigate the use of RTILs in batteries, by means of both classical molecular dynamics (MD), which provides information about structure and molecular transport, and ab initio molecular dynamics (AIMD), which provides information about structure. The focus has been placed on the effect of adding either Na(+) or Li(+) to 1-methyl-1-butyl-pyrrolidinium [C4 PYR](+) bis(trifluoromethanesulfonyl)imide [Tf2 N](-) . Radial distribution functions show excellent agreement between MD and AIMD, which ensures the validity of the force fields used in the MD. This is corroborated by the MD results for the density, the diffusion coefficients, and the total conductivity of the electrolytes, which reproduce remarkably well the experimental observations for all studied Na/Li concentrations. By extracting partial conductivities, it is demonstrated that the main contribution to the conductivity is that of [C4 PYR](+) and [Tf2 N](-) . However, addition of Na(+) /Li(+) , although not significant on its own, produces a dramatic decrease in the partial conductivities of the RTIL ions. The origin of this indirect effect can be traced to the modification of the microscopic structure of the liquid as observed from the radial distribution functions, owing to the formation of [Na(Tf2 N)n ]((n-1)-) and [Li(Tf2 N)n ]((n-1)-) clusters at high concentrations. This formation hinders the motion of the large ions, hence reducing the total conductivity. We demonstrate that this clustering effect is common to both Li and Na, showing that both ions behave in a similar manner at a microscopic level in spite of their distinct ionic radii. This is an interesting finding for extending Li-ion and Li-air technologies to their potentially cheaper Na-based counterparts.

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Section: Resultssupporting

confidence: 92%

Section: Resultssupporting

confidence: 71%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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