Associated molecular liquids at the graphene monolayer interface

We report molecular simulations of the interaction between a graphene sheet and different liquids such as water, ethanol, and ethylene glycol. We describe the structural arrangements at the graphene interface in terms of density profiles, number of hydrogen bonds (HBs), and local structuration in neighboring layers close to the surface. We establish the formation of a two-dimensional HB network in the layer closest to the graphene. We also calculate the interfacial tension of liquids with a graphene monolayer and its profile along the direction normal to the graphene to rationalize and quantify the strengthening of the intermolecular interactions in the liquid due to the presence of the surface.

Automated summary

The study reveals the presence of a two-dimensional hydrogen bond network in the layer closest to graphene, and quantifies the strengthening of intermolecular interactions in liquids by calculating interface tension with a graphene monolayer.