Different shapes based on ionic liquid leading to a two-stage discharge process

Zhang, Kun; Zhou, Guohui; Fang, Timing; Tang, Xiao; Liu, Xiaomin

doi:10.1039/d2ta00583b

Cited by 9 publications

(8 citation statements)

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“…The mechanism of these results was also studied using MD simulations. Near the negative electrode of [C n mim][AOT] and [C n mim][BF 4 ] systems, the structural transition of imidazolium-based NAILs and SAILs in a two-stage discharge process was discussed by Zhou et al [ 57 ]. The two-stage discharge process of NAILs was more obvious, and this process was slower for SAILs.…”

Section: Studies On the Mechanism Of The Charging And Discharging Pro...mentioning

confidence: 99%

“…Because of the two-stage discharge process of imidazolium-based ions [ 57 ], their discharging process is not equal to the reverse charging process. However, for other kinds of ions, such as surfactant-like ions [AOT] − or NAIL ions [BF 4 ] − , there is no two-stage discharging process, meaning their discharging process is nearly equal to the reverse charging process [ 57 ]. Therefore, the different ions should appear so.…”

Section: Studies On the Mechanism Of The Charging And Discharging Pro...mentioning

confidence: 99%

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From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors

Zhang,

Wei,

Zheng

et al. 2024

Molecules

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Due to the unique properties of room temperature ionic liquids (RTILs), most researchers’ interest in RTIL-based electrolytes in electric double-layer capacitors (EDLCs) stems from molecular simulations, which are different from experimental scientific research fields. The knowledge of RTIL-based electrolytes in EDLCs began with a supposition obtained from the results of molecular simulations of molten salts. Furthermore, experiments and simulations were promoted and developed rapidly on this topic. In some instances, the achievements of molecular simulations are ahead of even those obtained from experiments in quantity and quality. Molecular simulations offer more information on the impacts of overscreening, quasicrowding, crowding, and underscreening for RTIL-based electrolytes than experimental studies, which can be helpful in understanding the mechanisms of EDLCs. With the advancement of experimental technology, these effects have been verified by experiments. The simulation prediction of the capacitance curve was in good agreement with the experiment for pure RTILs. For complex systems, such as RTIL–solvent mixtures and RTIL mixture systems, both molecular simulations and experiments have reported that the change in capacitance curves is not monotonous with RTIL concentrations. In addition, there are some phenomena that are difficult to explain in experiments and can be well explained through molecular simulations. Finally, experiments and molecular simulations have maintained synchronous developments in recent years, and this paper discusses their relationship and reflects on their application.

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Section: Studies On the Mechanism Of The Charging And Discharging Pro...mentioning

confidence: 99%

Section: Studies On the Mechanism Of The Charging And Discharging Pro...mentioning

confidence: 99%

From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors

Zhang,

Wei,

Zheng

et al. 2024

Molecules

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“…It could be seen that the intercalation of guest species into MXenes could expand the interlayer spacing and overcome sluggish kinetics. In addition to this, ionic liquids (ILs) have also been used to preintercalate MXene in recent years, which is an effective method to improve interlayer spacing. − Yan et al reported that [Emim] + cations chemically confined in Ti 3 C 2 T x could provide more electroactive sites and more efficient channels for ion migration …”

Section: Introductionmentioning

confidence: 99%

Ti₂CT₂ MXene as Anodes for Metal Ion Batteries: From Monolayer to Bilayer to Pillar Structure

et al. 2022

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The electrochemical performances of Ti2CT2 (T = F, O, and OH) MXenes with different layer structures (monolayer, bilayer, and pillared structures) as anodes for mono-/multivalent metal ion (Li+, Na+, Mg2+, and Al3+) batteries (MIBs) were studied via first-principles simulations. First, metal ions (MIs) adsorbed on Ti2CT2 monolayers were investigated to reveal the influence of MXene terminated groups on MIB performance. This indicated that O-terminated MXenes would be more suitable as electrodes. In particular, the theoretical capacity of Mg2+ on a Ti2CO2 monolayer could be more than 1500 mA h g–1. Then, MIs intercalated into MXene bilayers were considered to better understand the charging/discharging mechanism. In a Ti2CO2 bilayer with larger interlayer spacing, monovalent MIs and Mg2+ could form a multilayer accompanied by drastic expansion/contraction of the electrode, which still needs to be solved. Finally, imidazolium-based ionic liquids were used to preintercalate into MXene due to the matching size of the imidazolium cation, which effectively improved MXene stability and inhibited the self-stacking of layered MXenes. Our research would be helpful for theoretically regulating MXene functional groups and adjusting the interlayer spacing of MXenes via selecting guest molecules for designing MIBs and other energy storage devices.

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“…Nowadays, the development of self-assembled structures has attracted much attention for their potential applications in electrochemistry, − separation, − molecular catalysis, and drug delivery. − Building blocks commonly have amphiphilic properties. By conducting the polymer and surfactant, aggregation structures such as globular clusters, bilayers, nanotubes, and vesicles were formed and investigated. , …”

Section: Introductionmentioning

confidence: 99%

“…Nowadays, the development of self-assembled structures has attracted much attention for their potential applications in electrochemistry, 1 − 6 separation, 7 − 15 molecular catalysis, and drug delivery. 16 − 24 Building blocks commonly have amphiphilic properties.…”

Section: Introductionmentioning

confidence: 99%

Formation and Structure of Nanotubes in Imidazolium-Based Ionic Liquid Aqueous Solution

Zhou

Jiang

2022

ACS Omega

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Self-assembled structures have attracted much attention for their potential applications in biological and electrochemical studies. Understanding the aggregation mechanism is necessary for utilizing the structures and improving the properties. In this study, the tubular cluster aggregations formed by the 1-dodecyl-3-methylimidazolium salicylate ([C 12 mim][Sal]) have been studied by molecular dynamics simulations. The rod-like and funnel-shaped structures were observed during the simulations, and finally, the nanotube structure enclosed by a bilayer membrane was formed. For the first time, the point cloud fitting method was used to obtain the axis equation of the tubular cluster. Based on the equation, the structure of tubular clusters was analyzed in detail. The imidazolium ring and anions were distributed at the ionic liquid−water interface, while the dodecyl groups were buried in the nanotube membrane away from the water. Electrostatic interactions between cations and anions played a dominant role in stabilizing the structure of the nanotube. The tubular cluster size, membrane thickness, and permeability of water molecules through the membrane of the cluster were also calculated. Furthermore, the orientation analysis revealed that multitudinous aggregation structures could be formed by the long alkyl chain in aqueous solution, which might be beneficial for the strengthening and separating processes.

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Different shapes based on ionic liquid leading to a two-stage discharge process

Abstract: During the discharging process, two-stage characteristics could be found near the negative electrode; it can be applied to optimize design concepts and boost the development of IL-based electrolytes.

Cited by 9 publications

References 59 publications

From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors

From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors

Ti₂CT₂ MXene as Anodes for Metal Ion Batteries: From Monolayer to Bilayer to Pillar Structure

Formation and Structure of Nanotubes in Imidazolium-Based Ionic Liquid Aqueous Solution

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Different shapes based on ionic liquid leading to a two-stage discharge process

Abstract: During the discharging process, two-stage characteristics could be found near the negative electrode; it can be applied to optimize design concepts and boost the development of IL-based electrolytes.

Cited by 9 publications

References 59 publications

From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors

From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors

Ti2CT2 MXene as Anodes for Metal Ion Batteries: From Monolayer to Bilayer to Pillar Structure

Formation and Structure of Nanotubes in Imidazolium-Based Ionic Liquid Aqueous Solution

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Product

Resources

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Ti₂CT₂ MXene as Anodes for Metal Ion Batteries: From Monolayer to Bilayer to Pillar Structure