Ice II-like Monolayer Ice Grown on Graphite Surface

Abstract

Water on solid surfaces is essential for a wide range of scientific and technological processes. Previous studies reveal that water molecules on metal surfaces usually form layered structures with a honeycomb hydrogen-bond network, similar to the basal plane of hexagonal ice I h . Here we report a new type of monolayer ice grown on graphite surface at low temperature with subsequent annealing. High-resolution STM images reveal that the monolayer ice is composed of cyclic water hexamers without sharing edges. Moreover, the monolayer ice exhibits multiple orientations relative to the graphite lattices, resulting in various moiré patterns. First-principles calculations reveal that the moiré superstructures contain both tilted and planar water hexamers, corresponding to the horseshoe-like and flat water rings observed in the STM images. All water molecules within the monolayer are saturated by four hydrogen bonds, and the strong intralayer bonding gives rise to a high stability of the monolayer ice.

How do the doping concentrations of N and B in graphene modify the water adsorption?

“…In reality, experiments have investigated the adsorption of water monomers and small water clusters via STM 13,53 and AFM techniques. 54 Therefore, we also expect that experiments will be set up to conrm our ndings on the correlation of the geometrical and physical parameters upon variation of the doping concentration in the considered graphene systems for water adsorption.…”

“… 12 The predictions of two previous theoretical studies have been proved by recent experiments on the water–graphite interface. 13 Wang et al experimentally observed a monolayer of water grown on the graphite surface using STM imaging. 13 By using DFT calculations, they also found that all water molecules within this monolayer form a strong hydrogen bonding network, giving rise to the stabilization of this water monolayer.…”

A first-principles study of water adsorbed on flat and stepped silver surfaces

“…On a metal closed packed (111) substrate, it is common to assume that the water layer forms a crystalline hexagonal structure, the so-called ice-like layer, to match the surface geometry. 2,3,[25][26][27][28][29][30][31] Recently, with the help of AIMD simulations, the water properties on metal(111) surfaces have been studied intensively. 8,32,33 Some interesting phenomena have been found; for example, a strong chemisorbed metal-water interface was found on metal electrodes, which could induce electronic redistribution and significant potential shifts.…”

Patterning Configuration of Surface Hydrophilicity by Graphene Nanosheet towards the Inhibition of Ice Nucleation and Growth

“…Over the past few years, it has been investigated that graphene and its derivatives could influence ice nucleation and growth [19][20][21]. The two-dimensional material, graphene, has become one of the most promising materials in recent decades due to its potential applications in high performance electronics, sensors and energy storage devices [22][23][24][25][26][27]. It can be made into fibers, membranes and can be drop-casted onto various substrates [28][29][30].…”

“…Their results indicated that the ordering of interfacial liquid water on a graphene surface was the main reason for the facilitated heterogeneous nucleation [33]. Not only a promoting material, graphene and its derivatives can also restrain ice formation under specific conditions [22,34]. The exceptional Joule's heating effect and electrothermal effect of graphene-based composites have received much attention in the design of antiicing systems [35,36].…”