2015
DOI: 10.1021/jp511036e
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Wettability of Graphene-Coated Surface: Free Energy Investigations Using Molecular Dynamics Simulation

Abstract: A clear understanding of the wettability of graphene and graphene-coated surfaces is of critical importance for the practical applications of graphene. The present study provides microscopic and thermodynamic perspectives into the wettability of graphene-coated surfaces by molecular dynamics simulations along with free energy calculations utilizing the umbrella sampling. The water droplet adhesion process on graphene-coated surface was characterized by the change in surface area, mean force, and free energy of… Show more

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Cited by 37 publications
(30 citation statements)
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“…This result is in line with other studies that have shown graphite surfaces to be mildly hydrophilic with a contact angle of about 50ᵒ, 35,36,37 Although higher aqueous contact angle values have been reported in the literature, 38,39,40 variations are expected depending on the sample quality, measurement environment (including surface contamination which increases the contact angle) and droplet size. 35,36,41 Given the short timescale (<5 s) on which the droplet was deposited after cleavage of surface, 9 the value we report can be taken as the intrinsic CA of 1 mM NaClO4 at AM HOPG, and is in line with theoretical predictions. 11 % at +1.13 V, while the CA was reduced from 51ᵒ to 38ᵒ.…”
Section: Voltage Effect On Electrowettingsupporting
confidence: 81%
“…This result is in line with other studies that have shown graphite surfaces to be mildly hydrophilic with a contact angle of about 50ᵒ, 35,36,37 Although higher aqueous contact angle values have been reported in the literature, 38,39,40 variations are expected depending on the sample quality, measurement environment (including surface contamination which increases the contact angle) and droplet size. 35,36,41 Given the short timescale (<5 s) on which the droplet was deposited after cleavage of surface, 9 the value we report can be taken as the intrinsic CA of 1 mM NaClO4 at AM HOPG, and is in line with theoretical predictions. 11 % at +1.13 V, while the CA was reduced from 51ᵒ to 38ᵒ.…”
Section: Voltage Effect On Electrowettingsupporting
confidence: 81%
“…The effect of monolayer graphene on the contact angle compared to the underlying substrate can usually be ignored because it is transparent to wetting effects in most cases 8 . Note that modelling by Hung et al 9 shows that graphene screens substrate effects and has a larger contribution. Our measurements predominantly agree with conclusions made by Rafiee et al 8 as we measure graphene having no discernible affect on measured contact angle compared to the bare treated substrate, see Fig.…”
Section: Resultsmentioning
confidence: 97%
“…These observations are consistent with recent theoretical predictions. 61 The meniscus detached at position 7, and the iDC (meniscus confined to the pipet) decreased suddenly to its original value. and Cu-supported CVD graphene with the same, and similar, redox species.…”
Section: Wetting and Electrochemistry Of Supported And Suspended Grapmentioning
confidence: 98%
“…Yet, the relatively few studies available are not in agreement, especially on the effect of the substrate. 29,60,61 To the best of our knowledge, the intrinsic wettability of suspended graphene has only been predicted theoretically by molecular dynamics, 62 and has not been measured, due to experimental challenges. Our studies suggest that Cu-supported graphene exhibits stronger wettability compared with a free-standing graphene sheet.…”
Section: Wetting and Electrochemistry Of Supported And Suspended Grapmentioning
confidence: 99%