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Title: Liquids with Lower Wettability Can Exhibit Higher Friction on Hexagonal Boron Nitride: The Intriguing Role of Solid–Liquid Electrostatic Interactions

Journal Article · · Nano Letters

Here, we investigate the wetting and frictional behavior of polar (water and ethylene glycol) and nonpolar (diiodomethane) liquids on the basal plane of hexagonal boron nitride (hBN) using molecular dynamics simulations. Our results for the wettability of water on the hBN basal plane (contact angle 81°) are in qualitative agreement with the experimentally deduced mild hydrophilicity of the hBN basal plane (contact angle 66°). We find that water exhibits the lowest wettability, as quantified by the highest contact angle, but the highest friction coefficient of (1.9 ± 0.4) × 105 N-s/m3 on the hBN basal plane among the three liquids considered. This intriguing finding is explained in terms of the competition between dispersion and electrostatic interactions operating between the hBN basal plane and the three liquids. We find that electrostatic interactions do not affect the wetting behavior appreciably, as quantified by a less than 3° change in the respective contact angles of the three liquids considered. On the other hand, electrostatic interactions are found to increase the friction coefficients of the three liquids in contact with hBN to different extents, indicating that despite the increased friction of water on hBN, relative to that on graphene, nonpolar liquids may exhibit similar friction coefficients on hBN and graphene. Our findings reveal that the increase in the friction coefficient, upon incorporation of solid–liquid electrostatic interactions, is brought about by a greater increase in the solid–liquid mean-squared total lateral force, as compared to a smaller reduction in the decorrelation time of the solid–liquid force.

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). The Center for Enhanced Nanofluidic Transport (CENT); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0019112
OSTI ID:
1566553
Journal Information:
Nano Letters, Vol. 19, Issue 3; ISSN 1530-6984
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 27 works
Citation information provided by
Web of Science

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Anomalous interplay of slip, shear and wettability in nanoconfined water journal January 2019

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