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Distinct Chemistries Explain Decoupling of Slip and Wettability in Atomically Smooth Aqueous Interfaces.

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The distinct chemistry of hexagonal boron nitride, not wettability, causes higher water friction in its nanoscopic channels compared to graphite. Polar bonds in hexagonal boron nitride lead to Coulombic interactions and enhanced friction.

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Nanotechnology

Background:

  • Nanoscopic channels of hexagonal boron nitride (h-BN) and graphite show significant differences in fluid slip.
  • This discrepancy exists despite similar crystallography and water structuring in both materials.

Purpose of the Study:

  • To investigate the origin of the order-of-magnitude difference in fluid slip between h-BN and graphite nanoscopic channels.
  • To elucidate the role of material chemistry in water friction at the nanoscale.

Main Methods:

  • Utilizing molecular dynamics simulations to model water flow in h-BN and graphite channels.
  • Analyzing intermolecular forces, specifically Coulombic and dispersive interactions, between water and channel walls.

Main Results:

  • Distinct chemistries, particularly polar bonds in h-BN absent in graphite, are the primary cause of differing fluid slip.
  • Coulombic interactions between polar water molecules and the h-BN wall result in significantly enhanced friction.
  • Fluid adhesion is dominated by dispersive forces in both materials, leading to similar wettabilities.

Conclusions:

  • The enhanced friction in h-BN channels is attributed to Coulombic interactions, not wettability differences.
  • Material chemistry, specifically the presence of polar bonds, is a critical factor governing fluid friction at the nanoscale.
  • Findings rationalize experimental observations on the frictional characteristics of graphite and h-BN.