Water molecules in boron nitride interlayer space: ice and hydrolysis in super confinement.

Development of nano-sized channels and filters in the recent years has made the role of water immensely important as water molecules affect their performance and durability. Here, we take advantage of molecular dynamics and density functional theory methods to demonstrate the shift in behavior of water molecules confined between hexagonal boron nitride (HBN) sheets spaced at 3.0 to 6.