Layering of confined water between two graphene sheets and its liquid–liquid transition

Zhou, Xuyan; Duan, Yunrui; Wang, Long; Liu, Sida; Li, Tao; Li, Yifan; Li, Hui

doi:10.1088/1674-1056/26/10/106401

Cited by 3 publications

(3 citation statements)

References 50 publications

(49 reference statements)

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“…The recent emergence of two-dimensional materials such as graphene and graphene oxide (GO) membranes now offers the possibility to explore fundamentally the properties of water down to the molecular scale 4 – 13 , together with direct applications in the fields of energy conversion, water desalination, dehydration or proton conduction in fuel cells 10 , 14 – 20 . Water confined in such 2D materials behaves quite differently from bulk water, leading e.g., to highly ordered structures even at room temperature, with lattice structures never observed in bulk ice, as revealed by means of both simulations and experiments 21 – 26 . Furthermore, peculiar dynamical properties have been observed for water flowing through nanoporous membranes, such as a fast transport and significant selectivity of solutions 27 – 30 .…”

Section: Introductionmentioning

confidence: 81%

Dripplons as localized and superfast ripples of water confined between graphene sheets

et al. 2018

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Carbon materials have unveiled outstanding properties as membranes for water transport, both in 1D carbon nanotube and between 2D graphene layers. In the ultimate confinement, water properties however strongly deviate from the continuum, showing exotic properties with numerous counterparts in fields ranging from nanotribology to biology. Here, by means of molecular dynamics, we show a self-organized inhomogeneous structure of water confined between graphene sheets, whereby the very strong localization of water defeats the energy cost for bending the graphene sheets. This leads to a two-dimensional water droplet accompanied by localized graphene ripples, which we call “dripplon.” Additional osmotic effects originating in dissolved impurities are shown to further stabilize the dripplon. Our analysis also reveals a counterintuitive superfast dynamics of the dripplons, comparable to that of individual water molecules. They move like a (nano-) ruck in a rug, with water molecules and carbon atoms exchanging rapidly across the dripplon interface.

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Section: Introductionmentioning

confidence: 81%

Dripplons as localized and superfast ripples of water confined between graphene sheets

et al. 2018

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“…In other investigations, it has been shown that some physical properties of confined water, such as the slip lengths/flow, density, and viscosity of the fluid, have changed in different conditions [10][11][12][13]. Moreover, the fluid dynamics could be controlled via some parameters such as temperature, pressure, and application of electric fields, profiting to the design of related nano-scale devices [14][15][16][17][18]. Ren et al reported that the dipole orientation of the water molecules on graphene, experienced a remarkable direction change from disordered state to ordered state, for the electric field greater than 0.08 V/Å [19].…”

Section: Introductionmentioning

confidence: 99%

Modeling the Effect of External Electric Fields on the Dynamics of a Confined Water Nano-Droplet

Kargar

Lohrasebi

2021

JNanoR

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The effects of the application of constant electric fields on the dynamics of a confined water droplet between two different surfaces are investigated, by using a molecular dynamics method. It is found that the water molecules responded to the electric field, which partially depends on the wettability of the different surfaces. The results reveal that the application of external electric fields causes to create extra pressure on the surfaces, which are theoretically justified. The induced pressure could be experienced by multilayer nano-filters, which are used in desalination processes, with the aid of an external electric field, and may reduce the water filters shelf life.

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“…Rezania et al [4] investigated the hydration of single-layered GO and revealed through X-ray diffraction (XRD) and neutron scattering analysis that interlayer spacing of GO expands with relative humidity. Through molecular dynamics (MD) simulation, Zhou et al [5] demonstrated that the stacking pattern of confined water molecules in GO is affected by the distance between neighboring layers. Moreover, water molecules present in different regions of GO display different behaviors.…”

Section: Introductionmentioning

confidence: 99%

Effects of Solvent Molecules on the Interlayer Spacing of Graphene Oxide

Liu

Zhang

Liu

et al. 2018

Trans. Tianjin Univ.

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Graphene oxide (GO) contains numerous functional groups that facilitate the intercalation of polar solvents. The properties and applications of GO are closely related to its interlayer spacing. We report on the changes in the interlayer spacing of GO after the adsorption of water molecules and the polar organic solvents C 2 H 6 O 2 (EG), C 3 H 7 NO (DMF), C 5 H 9 NO (NMP). Experiments were conducted to investigate the variations in the functional groups and structure of GO after solvent adsorption, and they play a vital role in modeling and verifying the results of molecular dynamics simulation. The most stable GO structures are obtained through molecular dynamics simulation. The expansion of the interlayer spacing of GO after the adsorption of monolayer solvent molecules corresponds to the minimum three-dimensional size of the solvent molecules. The spatial arrangement of solvent molecules also contributes to the changes in interlayer spacing. Most adsorbed molecules are oriented parallel to the carbon plane of GO. However, as additional molecules are adsorbed into the interlaminations of GO, the adsorbed molecules are oriented perpendicular to the carbon plane of GO, and a large space forms between two GO interlayers. In addition, the role of large molecules in increasing interlayer spacing becomes more crucial than that of water molecules in the adsorption of binary solvent systems by GO.

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Layering of confined water between two graphene sheets and its liquid–liquid transition

Cited by 3 publications

References 50 publications

Dripplons as localized and superfast ripples of water confined between graphene sheets

Dripplons as localized and superfast ripples of water confined between graphene sheets

Modeling the Effect of External Electric Fields on the Dynamics of a Confined Water Nano-Droplet

Effects of Solvent Molecules on the Interlayer Spacing of Graphene Oxide

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