Atom–surface interaction: Potential energy surface

In this work, the identification of the potential energy surface between the H atom and Pt (111) surface was theoretically done. London-Eyring-Polanyi-Sato potential was used to determine the potential energy surface. In order to find the parameters of this potential, the energy value belonging of H - Pt (111) interaction calculated by the density functional theory method was used. By identifying the potential energy surface, regions where the hydrogen atom is known to adsorb on the surface and where it passes easily to the bottom surface were detected. It has been shown that the hollow sites of the surface are regions where both the transition region to the subsurface and the surface can be held on the surface.