Kapitza Resistance between Few-Layer Graphene and Water: Liquid Layering Effects

Abstract

The Kapitza resistance (RK) between few-layer graphene (FLG) and water was studied using molecular dynamics simulations. The RK was found to depend on the number of the layers in the FLG though, surprisingly, not on the water block thickness. This distinct size dependence is attributed to the large difference in the phonon mean free path between the FLG and water. Remarkably, RK is strongly dependent on the layering of water adjacent to the FLG, exhibiting an inverse proportionality relationship to the peak density of the first water layer, which is consistent with better acoustic phonon matching between FLG and water. These findings suggest novel ways to engineer the thermal transport properties of solid-liquid interfaces by controlling and regulating the liquid layering at the interface.