Fluctuation-induced quantum friction in nanoscale water flows

Kavokine, Nikita; Bocquet, Marie‐Laure; Bocquet, Lydéric

doi:10.1038/s41586-021-04284-7

Cited by 139 publications

(184 citation statements)

References 39 publications

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“…Starting with the discrepancies found for CNTs, one particularly interesting issue is the potential importance of a non-Born-Oppenheimer-based quantum friction that may play an important role in multiwalled CNTs. 43 Specifically, it was suggested that this additional friction is induced by coupling of charge fluctuations in the water to the electronic excitations in the solid. With the electrons being able to tunnel between stacked layers, this additional term dominates water transport on graphite and multi-walled CNTs of large diameter where individual layers interact strongly.…”

Section: Bridging the Gap Between Simulations And Experimentsmentioning

confidence: 99%

Water flow in single-wall nanotubes: Oxygen makes it slip, hydrogen makes it stick

Thiemann¹,

Schran²,

Rowe³

et al. 2022

Preprint

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Experimental measurements have reported ultra-fast and radius-dependent water transport in carbon nanotubes which are absent in boron nitride nanotubes. Despite considerable effort, the origin of this contrasting (and fascinating) behaviour is not understood. Here, with the aid of machine learning-based molecular dynamics simulations that deliver first-principles accuracy, we investigate water transport in single-wall carbon and boron nitride nanotubes. Our simulations reveal a large, radius-dependent hydrodynamic slippage on both materials with water experiencing indeed a ≈ 5 times lower friction on carbon surfaces compared to boron nitride. Analysis of the diffusion mechanisms across the two materials reveals that the fast water transport on carbon is governed by facile oxygen motion, whereas the higher friction on boron nitride arises from specific hydrogen-nitrogen interactions. This work not only delivers a clear reference of unprecedented accuracy for water flow in single-wall nanotubes, but also provides detailed mechanistic insight into its radius and material dependence for future technological application.

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Section: Bridging the Gap Between Simulations And Experimentsmentioning

confidence: 99%

Water flow in single-wall nanotubes: Oxygen makes it slip, hydrogen makes it stick

Thiemann¹,

Schran²,

Rowe³

et al. 2022

Preprint

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“…16,33,34,41,42 However, the changes of dielectric properties of interfacial water are most commonly reported on carbon-based materials. 24,25,30,43,44 Unique properties of water-carbon interfaces owe to the specific atomic structure of the carbon. 45 It appears in different configurations, such as nanotubes, graphene, fullerenes, amorphous carbon, graphite, and diamond.…”

Section: Main Confinement-induced Distortions Of Water Structurementioning

confidence: 99%

Confinement-controlled Water Engenders High Energy Density Electrochemical-double-layer Capacitance

Ponomarenko¹,

Рыжов²,

Radenović³

et al. 2022

Preprint

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The renewable energy sector critically needs low-cost and environmentally neutral energy storage solutions throughout the entire device life cycle. However, the limited performance of standard water-based electrochemical systems prevents their use in certain applications. Meanwhile, recent fundamental studies revealed dielectric anomalies of water near solid-liquid interfaces of carbon-based nanomaterials. In contrast to the bulk water properties, these anomalies of water under nano-confinement and in the presence of electric fields have not yet been understood and used. Here, we experimentally study the ability of the interfacial water layer to engender and store charge in electrochemical double-layer capacitance. We demonstrate the first prototype of a 'water only' membrane-electrode assembly. The prototype exhibits characteristics comparable

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“…The peculiar static and dynamic properties of the water/graphene interface have been unveiled in pioneering experimental [1][2][3] and theoretical [4][5][6][7][8][9] studies. This results in particular in the extraordinary transport efficiency in water-filled carbon nanotubes and nanochannels [10][11][12].…”

mentioning

confidence: 99%

“…1c presents an alternation of overresponding ( χw (z) > χ b ) and underresponding ( χw (z) < χ b ) layers before reaching its bulk value χ b = 1 − 1/ε w for z > 1.25 nm. Refining n 0 (z) by extracting the hydrogen molecular density from a MD simulation [9] (see Fig. 1b) induces minor modifications in χw (z) (dotted line in Fig.…”

mentioning

confidence: 99%

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Coupled interactions at the ionic graphene/water interface

Robert¹,

Berthoumieux²,

Bocquet³

2022

Preprint

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We compute ionic free energy adsorption profiles at aqueous graphene interface by developing a self-consistent approach. To do so, we design a microscopic model for water and put the liquid on an equal footing with the graphene described by its electronic band structure. By evaluating progressively the electronic/dipolar coupled electrostatic interactions, we show that the coupling level including mutual graphene/water screening permits to recover remarkably the precision of extensive quantum simulations. We further derive the potential of mean force evolution of several alkali cations to gain insight on the ionic size effects.

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Fluctuation-induced quantum friction in nanoscale water flows

Cited by 139 publications

References 39 publications

Water flow in single-wall nanotubes: Oxygen makes it slip, hydrogen makes it stick

Water flow in single-wall nanotubes: Oxygen makes it slip, hydrogen makes it stick

Confinement-controlled Water Engenders High Energy Density Electrochemical-double-layer Capacitance

Coupled interactions at the ionic graphene/water interface

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