Hexagonal boron nitride (hBN), a two-dimensional (2D) nanomaterial renowned for its exceptional chemical and mechanical stability, has emerged as a promising candidate for atomically thin coatings, nanofluidic, and water desalination. In many of these uses, hBN surfaces interact directly with water. This study explores the frictional properties of 2D hBN surfaces, specifically nanoslits and nanopore-containing nanosheets, in the context of water desalination. Through molecular dynamics (MD) simulations and change in free energy due to infinite separation from molecular contact of hBN and water at interface, we demonstrate that nanoslits exhibit higher friction compared to nanopore-embedded nanosheets. These findings highlight the critical need to understand the frictional behavior of hBN in water desalination applications, offering insights for optimizing its performance in such systems.

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Frictional Dynamics of Hexagonal Boron Nitride for Water Desalination

  • Bharat Bhushan Sharma

摘要

Hexagonal boron nitride (hBN), a two-dimensional (2D) nanomaterial renowned for its exceptional chemical and mechanical stability, has emerged as a promising candidate for atomically thin coatings, nanofluidic, and water desalination. In many of these uses, hBN surfaces interact directly with water. This study explores the frictional properties of 2D hBN surfaces, specifically nanoslits and nanopore-containing nanosheets, in the context of water desalination. Through molecular dynamics (MD) simulations and change in free energy due to infinite separation from molecular contact of hBN and water at interface, we demonstrate that nanoslits exhibit higher friction compared to nanopore-embedded nanosheets. These findings highlight the critical need to understand the frictional behavior of hBN in water desalination applications, offering insights for optimizing its performance in such systems.