Extended Data Fig. 2: Monolayer ice phases.
From: The first-principles phase diagram of monolayer nanoconfined water
(a) Top and side view of the monolayer hexagonal phase.(b) Top and side view of the monolayer pentagonal phase. (c) Top and side view of the monolayer flat-rhombic phase. (d) Top and side view of the monolayer square phase. Lattice constants are labelled along cell vectors. Insets show histograms of O–H distances and H–O–H angles for the optimized structures following the approach from ref. 18.
