Atomic-scale thermal manipulation with adsorbed atoms on a solid surface at a liquid-solid interface

Modulating thermal transport through interfaces is one of the central issues in nanoscience and nanotechnology. This study examined thermal transport between atoms adsorbed on a solid surface and a liquid phase based on non-equilibrium molecular dynamics. The heat flux was detected at sub-atomic spatial resolution, yielding a two-dimensional map of local heat flux in the vicinity of the adsorbed atoms on the surface. Based on the detected heat flux, the possibility of atomic-scale thermal manipulation with the adsorbed atoms was examined by varying the interaction strengths between the liquid molecules and atoms adsorbed on the surface. The results of the local heat flux at the single-atom scale clearly showed effects of the adsorbed atoms on the thermal transport through the liquid-solid interface; they can significantly enhance the heat flux at the single-atom scale using degrees of freedom normal to the macroscopic temperature gradient. The effect was especially evident for a low wettability surface, which provides key information on local enhancement at the single-atom scale of the thermal transport through a liquid-solid interface.