Structure of tetraalkylammonium ionic liquids in the interlayer of modified montmorillonite

Duarte, Daniel; Salanne, Mathieu; Rotenberg, Benjamin; Bizeto, Marcos A.; Siqueira, Leonardo José Amaral de

doi:10.1088/0953-8984/26/28/284107

Cited by 12 publications

(13 citation statements)

References 68 publications

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“…However, we cannot definitely ascertain the internal arrangement of the ions and polar groups from this measurement of periodicity alone. This arrangement has been proposed in previous experiments with similar ionic liquids 7,10,15 and observed in recent computer simulations 29,30 . The driving force for self-assembly is likely to be the unfavourable interface between hydrocarbon and charged groups, relative to more favourable interactions between oppositely charged ions.…”

Section: Sfbsupporting

confidence: 80%

Direct measurements of ionic liquid layering at a single mica–liquid interface and in nano-films between two mica–liquid interfaces

Griffin

Browning

Clarke

et al. 2017

Phys. Chem. Chem. Phys.

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The layering of ionic liquids close to flat, charged interfaces has been identified previously through theoretical and some experimental measurements. Here we present evidence for oscillations in ion density ('layering') in a long chain ionic liquid (1-decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide) near the interface with mica using two complementary approaches. Neutron reflection at the ionic liquid-mica interface is used to detect structure at a single interface, and surface force balance (SFB) measurements carried out with the same ionic liquid reveal oscillatory density in the liquid confined between two mica sheets. Our findings imply the interfacial structure is not induced by confinement alone. Structural forces between two mica surfaces extend to approximately twice the distance of the density oscillations measured at a single interface and have similar period in both cases.

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Section: Sfbsupporting

confidence: 80%

Direct measurements of ionic liquid layering at a single mica–liquid interface and in nano-films between two mica–liquid interfaces

Griffin

Browning

Clarke

et al. 2017

Phys. Chem. Chem. Phys.

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“…3. This is reminiscent of the structure which was reported for the same IL adsorbed inside CDC electrodes 58 , in which the co-ions tend to occupy the center of the pores, but also to the case of an IL adsorbed in the interlayer of negatively charged clays 62 . Again, we observe that the structure of this monolayer of anions differs markedly from the one observed in the 7 Å pores since the corresponding peak in the density is much wider and less high.…”

Section: B Layering Inside the Poressupporting

confidence: 52%

Ion-ion correlations across and between electrified graphene layers

Méndez-Morales

Burbano

Haefele

et al. 2018

The Journal of Chemical Physics

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When an ionic liquid adsorbs onto a porous electrode, its ionic arrangement is deeply modified due to a screening of the Coulombic interactions by the metallic surface and by the confinement imposed upon it by the electrode's morphology. In particular, ions of the same charge can approach at close contact, leading to the formation of a superionic state. The impact of an electrified surface placed between two liquid phases is much less understood. Here we simulate a full supercapacitor made of the 1-butyl-3-methylimidazolium hexafluorophosphate and nanoporous graphene electrodes, with varying distances between the graphene sheets. The electrodes are held at constant potential by allowing the carbon charges to fluctuate. Under strong confinement conditions, we show that ions of the same charge tend to adsorb in front of each other across the graphene plane. These correlations are allowed by the formation of a highly localized image charge on the carbon atoms between the ions. They are suppressed in larger pores, when the liquid adopts a bilayer structure between the graphene sheets. These effects are qualitatively similar to the recent templating effects which have been reported during the growth of nanocrystals on a graphene substrate.

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“…This important finding is now commonly used to interpret the solvation properties of RTILs towards many species, such as nitrate ions 52,53 or acidic (SO 2 , CO 2 ) gases. 54,55 It was also ex-tended to interpret the structure of confined ionic liquids as probed in Atomic Force Microscopy or Surface Force Apparatus experiments [56][57][58][59][60] and in MD simulations 61 . The existence of this intermediate range ordering has a strong implication on the lubrication properties of RTILs.…”

Section: Non-polarizable All Atom Force Fieldsmentioning

confidence: 99%

Simulations of room temperature ionic liquids: from polarizable to coarse-grained force fields

Salanne

2015

Phys. Chem. Chem. Phys.

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152

176

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Room temperature ionic liquids (RTILs) are solvent with unusual properties, which are difficult to characterize experimentally because of their intrinsic complexity (large number of atoms, strong Coulomb interactions). Molecular simulations have therefore been essential in our understanding of these systems. Depending on the target property and on the necessity to account for fine details of the molecular structure of the ions, a large range of simulation techniques are available. Here I focus on classical molecular dynamics, in which the level of complexity of the simulation, and therefore the computational cost, mostly depends on the force field. Depending on the representation of the ions, these are either classified as all-atom or coarse-grained. In addition, all-atom force fields may account for polarization effects if necessary. The most widely used methods for RTILs are described together with their main achievements and limitations.

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Structure of tetraalkylammonium ionic liquids in the interlayer of modified montmorillonite

Cited by 12 publications

References 68 publications

Direct measurements of ionic liquid layering at a single mica–liquid interface and in nano-films between two mica–liquid interfaces

Direct measurements of ionic liquid layering at a single mica–liquid interface and in nano-films between two mica–liquid interfaces

Ion-ion correlations across and between electrified graphene layers

Simulations of room temperature ionic liquids: from polarizable to coarse-grained force fields

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