A molecular simulation of interactions between graphene nanosheets and supercritical CO2

► The potential of mean force (PMF) of graphene nanosheets in supercritical CO2 was simulated. ► The effect of scCO2 density and temperature on the interactions of the graphenes has been clarified. ► The confined solvent arrangement within the interfacial region between the graphenes is responsible for the solvent-induced interaction.