Beschreibung:
This work deals with simulations of atomic hydrogen beam scattering from various surfaces. The studied surfaces are several (post-)transition metals, an insulator and graphene. Simulations were run with a self-written program that implements numerous potential energy surfaces (PESs) to describe the different systems. All PESs used in this work were reparametrized with different approaches to accurately reproduce higher level reference data obtained from density functional theory. These PESs were subsequently used to run classical Newtonian dynamics simulations of atomic beam scattering. Nuc...