A molecular dynamics study of water confined in between two graphene sheets under compression

Abstract Several studies have demonstrated interest in creating surfaces with improved water interaction and adaptive properties because the behavior of confined at nanoscale plays a significant role synthesis materials for technological applications. Remarkably, confinement significantly modifies characteristics water. We determine phase diagram contained by graphene stack sheets slab form, $$T = 300$$ T = 300 K, constant pressure using molecular dynamics simulations. discover that, as shown simulation, can exist both liquid vapor phases depending on confining geometry compressibility ratio. also pay attention to how stable interacting is relation compression that perpendicular sheets. To build this system analyze its surface interface properties, we used analytical electronic scale modeling approaches. The impact nanoconfinement internal may be seen water, create interfacial creation environmentally friendly solar cell materials. Our research highlights intricate, seemingly random nanoconfined water—behavior difficult understand. results obtained offer crucial direction design configuration graphene/water utilized benchmark other future designs.