Interfacial structure and wetting properties of water droplets on graphene under a static electric field

Ren, Hui; Zhang, Leining; Li, Xiongying; Li, Yifan; Wu, Weikang; Li, Hui

doi:10.1039/c5cp04205d

Cited by 59 publications

(34 citation statements)

References 55 publications

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“…To evaluate electroosmotic properties, an external electric field of E = 0.4 V/nm, which is equivalent to that used in the previous study of PEMs, was applied along the axis ( z direction) to obtain statistically reliable fluxes of protons while avoiding an ordered dipole orientation of water molecules by an excessive degree of external electric fields. On the basis of the report by Ren et al ., the disordered structure of water molecules can be retained at E ≤ 0.4 V/nm. Note that although proton fluxes may decelerate the thermostat procedure, which leads to an inaccuracy in temperature control, this effect is negligible in the present study because the mass fraction of protons in the system is sufficiently small.…”

Section: Simulation Methodsmentioning

confidence: 93%

Effects of water nanochannel diameter on proton transport in proton‐exchange membranes

Mabuchi

Tokumasu

2019

J Polym Sci B Polym Phys

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The effects of water nanochannel diameter on proton transport pathways and properties have been studied using reactive molecular dynamics simulations. The proton distributions and diffusivities have been evaluated using the cylinder model of water domains at various diameters that is the most typical proposed morphological model in proton‐exchange membranes. The proton distributions are analyzed to clarify proton pathways by classifying the water channel into two regions in parallel: an inner channel (free water) and an outer channel (bound water). For all the water contents, the nonmonotonic trends that show a peak at a certain diameter are found to be observed in the proton diffusivity, which is dominated by the proton diffusivity in the free water region and has a strong correlation with the proton distribution that is controlled by the balance between the volume fraction of free water and the surface density of sulfonate groups. The electroosmotic drag coefficients are found to increase monotonically with increasing channel diameter as a result of the increase in the volume fraction of free water. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019, 57, 867–878

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Section: Simulation Methodsmentioning

confidence: 93%

Effects of water nanochannel diameter on proton transport in proton‐exchange membranes

Mabuchi

Tokumasu

2019

J Polym Sci B Polym Phys

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“…3b (i-iii)) significantly increase the water spreading speed, resulting in a rapid decrease in droplet height with increasing time and field ( Fig. 3b (iv)) 33 . The modulation of the WCA on 2D materials by an electric field can also be achieved through electrowetting effects, in which a charge explicitly interacts with the interfacial liquid and surface energies to reduce the WCA.…”

Section: Extrinsic Tuning Of the Wettability Of 2d Materialsmentioning

confidence: 89%

“…a Reprinted (adapted) with permission from Ashraf et al 31 , Copyright (2016) American Chemical Society. b Republished with permission from the Royal Society of Chemistry from Ren et al 33 , permission conveyed through the Copyright Clearance Center, Inc. c Reprinted (adapted) with permission from Choi et al 40 , Copyright (2017) American Chemical Society.…”

Section: Extrinsic Tuning Of the Wettability Of 2d Materialsmentioning

confidence: 99%

Interaction of 2D materials with liquids: wettability, electrochemical properties, friction, and emerging directions

et al. 2020

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The emergence of two-dimensional (2D) materials as functional surfaces for sensing, electronics, mechanics, and other myriad applications underscores the importance of understanding 2D material-liquid interactions. The thinness and environmental sensitivity of 2D materials induce novel surface forces that drive liquid interactions. This complexity makes fundamental 2D material-liquid interactions variable. In this review, we discuss the (1) wettability, (2) electrical double layer (EDL) structure, and (3) frictional interactions originating from 2D material-liquid interactions. While many 2D materials are inherently hydrophilic, their wettability is perturbed by their substrate and contaminants, which can shift the contact angle. This modulation of the wetting behavior enables templating, filtration, and actuation. Similarly, the inherent EDL at 2D material-liquid interfaces is easily perturbed. This EDL modulation partially explains the wettability modulation and enables distinctive electrofluidic systems, including supercapacitors, energy harvesters, microfluidic sensors, and nanojunction gating devices. Furthermore, nanoconfinement of liquid molecules at 2D material surfaces arising from a perturbed liquid structure results in distinctive hydrofrictional behavior, influencing the use of 2D materials in microchannels. We expect 2D material-liquid interactions to inform future fields of study, including modulation of the chemical reactivity of 2D materials via tuning 2D material-liquid interactions. Overall, 2D material-liquid interactions are a rich area for research that enables the unique tuning of surface properties, electrical and mechanical interactions, and chemistry. Origin of 2D material interactions with liquids The ideal interaction between a surface and a liquid is dictated by surface forces. Surface forces can be subdivided into three components: van der Waals forces, which exist at any interface between solids and liquids; electrostatic interactions, which exist between charged or polar surfaces and fluids; and structural forces, principally hydrogen bonding 1. These interactions influence the wetting behavior and determine whether the interaction with water is hydrophilic or hydrophobic, control the electronic structure at the liquid-solid interface, influence the frictional interaction, and modulate the chemical activity. However, this ideal picture of the surface interactions is complicated when considering surface heterogeneities, including roughness 2 and contamination 3 , which interfere with the formation of an equilibrium configuration between the liquid and the surface, leading to eccentric behaviors, including superwetting, superslipping, and superhydrophobicity. These surface heterogeneities also allow the surface liquid interactions to be tuned, enabling an array of applications in sensing, chemical transport, and actuation. Two-dimensional (2D) materials, which are extremely thin, have unique electrical properties, and have a tendency to deform and accumulate contamination during proce...

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“…While a positive electric field promotes desorption of H and OH from graphene, which causes the hydrophobicity. Ren et al . further investigated the wetting properties of water droplets on graphene under a static electric field by MD simulations.…”

Section: The Control Of Wettability For Improving Catalytic Performancementioning

confidence: 99%

The Effect of Surface Wettability and Coalescence Dynamics in Catalytic Performance and Catalyst Preparation: A Review

Wang

et al. 2019

ChemCatChem

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The interactions between the reactants and catalysts surfaces play a significant role in heterogeneous catalysis, thus to tune the interfacial properties between them has emerged as an important topic. This review has summarised some recent advances about the effects of wettability on the catalytic reactions, including hydrophilicity, hydrophobicity, and dewetting properties. In addition, the effect of coalescence dynamics among the catalyst particles is also discussed based on a series of investigations. Although the researchers have realised the importance of wettability, the ability to tune the wettability in their work needs to be further enhanced. Therefore, we finally highlighted considerable useful approaches to achieve controllable wettability and coalescence. It is expected that in the future design of catalysts, researchers should pay more attention to tuning the interfacial structure to achieve the enhanced catalysts behaviours.[a] T.

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Interfacial structure and wetting properties of water droplets on graphene under a static electric field

Cited by 59 publications

References 55 publications

Effects of water nanochannel diameter on proton transport in proton‐exchange membranes

Effects of water nanochannel diameter on proton transport in proton‐exchange membranes

Interaction of 2D materials with liquids: wettability, electrochemical properties, friction, and emerging directions

The Effect of Surface Wettability and Coalescence Dynamics in Catalytic Performance and Catalyst Preparation: A Review

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