Structure of water adsorbed on a single graphene sheet

Abstract

We present the result of molecular-dynamics simulations of water adsorbed on top of a single graphene layer at temperatures between 25 and 50¿°C. The analysis of the energy per particle and the density profiles indicate that the behavior of the adsorbed liquid is similar to the case of multiple graphene layers (graphite) with the only difference being the values of configurational energy. Other structural properties, such as stability ranges, hydrogen bond distributions, and molecular orientations are also presented.