Ionic conduction in doped succinonitrile

Long, S.M.

doi:10.1016/j.ssi.2003.11.042

Cited by 44 publications

(50 citation statements)

References 15 publications

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“…These properties may be potentially exploited in applications such as thermal energy storage 2,5,6 and as solid electrolytes. 1,[7][8][9][10] Organic ionic plastic crystals (OIPCs) are a more recently developed subclass of plastic crystal that display specific fast-ion transport capability, where dopant ions (such as Li + ) are highly mobile in an OIPC matrix. 7,11 It is noteworthy that the OIPC matrix itself also exhibits some level of intrinsic conductivity.…”

Section: Introductionmentioning

confidence: 99%

Atomistic simulation of structure and dynamics of the plastic crystal diethyl(methyl)(isobutyl)phosphonium hexafluorophosphate

Chen

Jin

Leeuw

et al. 2013

The Journal of Chemical Physics

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Molecular dynamics simulations have been performed to investigate the interrelations between structures, transport mechanisms, and phase transitions of an organic ionic plastic crystal material, diethyl(methyl)(isobutyl)phosphonium hexafluorophosphate ([P1,2,2,4][PF6]), in both solid and liquid phases. Examination of the temperature dependence of supercell parameters and radial distribution functions provides evidence of plastic phase transitions. Nonlinear increments of cell size within the temperature range 123-413 K are consistent with the plastic phase transitions identified from experimental analysis. The time- and temperature-dependent microstructure and dynamics have been intensively studied through analysis of trajectory files. The rotational motion and diffusion of the matrix ions are quantitatively analysed via rotational correlation functions and mean square displacements. We present new information on the evolution of molecular motions in different phases, and compare and contrast our findings with previously reported hypotheses based on nuclear magnetic resonance results. This work provides valuable information at an atomistic level to explain the experimental observations, which helps further understanding of the molecular motions underlying the plastic phase transitions.

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Section: Introductionmentioning

confidence: 99%

Atomistic simulation of structure and dynamics of the plastic crystal diethyl(methyl)(isobutyl)phosphonium hexafluorophosphate

Chen

Jin

Leeuw

et al. 2013

The Journal of Chemical Physics

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“…[30][31][32][33][34][35][36] The plastic crystal phase of succinonitrile is studied as solid electrolyte matrix of batteries, dye-sensitized solar cells, and fuel cells. [37][38][39][40][41] The applications of plasticpolymer composite electrolytes which are the mixture of lithium salts and plastic crystalline succinonitrile including polymer are also studied, [42][43][44] and the ionic conductivity of the electrolytes is affected by solvent dynamics and ion association. [44][45][46] Fluorohydrogenate ILs contain fluorohydrogenate anions ((FH) n F − ) ( Figure 1) and exhibit low viscosity and high conductivity 19,27,[47][48][49][50][51][52][53] (e.g.…”

Section: Introductionmentioning

confidence: 99%

Physicochemical properties and plastic crystal structures of phosphonium fluorohydrogenate salts

Enomoto

Kanematsu

Tsunashima

et al. 2011

Phys. Chem. Chem. Phys.

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Fluorohydrogenate salts of quaternary phosphonium cations with alkyl and methoxy groups (tetraethylphosphonium (P(2222)(+)), triethyl-n-pentylphosphonium (P(2225)(+)), triethyl-n-octylphosphonium (P(2228)(+)), and triethylmethoxymethylphosphonium (P(222(101))(+))) have been synthesized by the metatheses of anhydrous hydrogen fluoride and the corresponding phosphonium bromide or chloride precursors. The three salts with asymmetric cations, P(222m)(FH)(2.1)F (m = 5, 8, and 101), are room temperature ionic liquids (ILs) and are characterized by differential scanning calorimetry, density, viscosity, and conductivity measurements. Linear sweep voltammetry using a glassy carbon working electrode shows these phosphonium fluorohydrogenate ILs have wide electrochemical windows (>4.9 V) with the lowest viscosity and highest conductivity in the known phosphonium-based ILs. Thermogravimetry shows their thermal stabilities are also improved compared to previously reported alkylammonium cation-based fluorohydrogenate salts. Differential scanning calorimetry and X-ray diffraction revealed that tetraethylphosphonium fluorohydrogenate salt, P(2222)(FH)(2)F, exhibits two plastic crystal phases. The high temperature phase has a hexagonal lattice, which is the first example of a plastic crystal phase with an inverse nickel arsenide-type structure, and the low-temperature phase has an orthorhombic lattice. The high-temperature plastic crystal phase exhibits a conductivity of 5 mS cm(-1) at 50 °C, which is the highest value for the neat plastic crystals.

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“…Recent work has shown that high solid state conductivities can be achieved in plastic or rotator phases of organic ionic crystals [8][9][10] and that this can be further improved by doping with an ionic species such as lithium or protons [11][12][13][14][15]. Doping of target ions in a molecular crystal, i.e., where the matrix is itself neutral, is attractive in that the conductivity should only arise from the doped species.…”

Section: Introductionmentioning

confidence: 99%