Diffusion and Entropy of Supercooled Water in Nanoslit

Understanding the supercooled water behavior in different circumstances is essential and provides the foundation to apply. The behaviors of supercooled water in nanoslit weren’t studied yet, though these of supercooled bulk water were studied about two decades ago. Here molecular dynamics simulations of water were conducted to investigate the diffusion and structures in nanoslit systematically. The diffusion of water closed to the graphene sheets decreased with increasing pressure which was different with bulk water. The diffusion was controlled by excess entropy. The existence of graphene sheets caused the layered water. Further, the water layer closed to graphene sheets preferred ordered triangular and square than pentagonal and hexagonal structure