Dataset Information

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

ABSTRACT: 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.

SUBMITTER: Yoshida H

PROVIDER: S-EPMC5902618 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

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

Yoshida Hiroaki H Kaiser Vojtěch V Rotenberg Benjamin B Bocquet Lydéric L

Nature communications 20180416 1

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 locali ...[more]

PMID: 29662065

Similar Datasets

Project description:Segmental dynamics in unentangled isotactic, syndiotactic, and atactic poly(methyl methacrylate) (i-, a-, and s-PMMA) melts confined between pristine graphene, reduced graphene oxide, RGO, or graphene oxide, GO, sheets is studied at various temperatures, well above glass transition temperature, via atomistic molecular dynamics simulations. The model RGO and GO sheets have different degrees of oxidization. The segmental dynamics is studied through the analysis of backbone torsional motions. In the vicinity of the model nanosheets (distances less than ≈2 nm), the dynamics slows down; the effect becomes significantly stronger with increasing the concentration of the surface functional groups, and hence increasing polymer/surface specific interactions. Upon decreasing temperature, the ratios of the interfacial segmental relaxation times to the respective bulk relaxation times increase, revealing the stronger temperature dependence of the interfacial segmental dynamics relative to the bulk dynamics. This heterogeneity in temperature dependence leads to the shortcoming of the time-temperature superposition principle for describing the segmental dynamics of the model confined melts. The alteration of the segmental dynamics at different distances, d, from the surfaces is described by a temperature shift, ΔTseg(d) (roughly speaking, shift of a characteristic temperature). Next, to a given nanosheet, i-PMMA has a larger value of ΔTseg than a-PMMA and s-PMMA. This trend correlates with the better interfacial packing and longer trains of i-PMMA chains. The backbone torsional autocorrelation functions are shown in the frequency domain and are qualitatively compared to the experimental dielectric loss spectra for the segmental α-relaxation in polymer nanocomposites. The εT″(f) (analogous of dielectric loss, ε″(f), for torsional motion) curves of the model confined melts are broader (toward lower frequencies) and have lower amplitudes relative to the corresponding bulk curves; however, the peak frequencies of the εT″(f) curves are only slightly affected.

Dataset Information

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

Publications

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

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets