Theoretical and experimental characterization of damaged graphite surfaces

We modeled damaged-irradiated carbon plasma facing component PFCs by graphite surfaces with vacancies. We combined theoretical and experimental investigations with a view to building tools to make a better assignment of the observed defects from the scanning tunneling microscope (STM) images. The theoretical part of this work is based on periodic density functional theory calculations. The electronic structure is calculated and the density of state along with the electronic density near the Fermi level are plotted. STM images are further simulated and their features are interpreted. On the experimental side, we performed scanning tunneling microscopy (STM) imaging at low bias voltage in order to probe the electronic modifications of the graphite surface induced either by H+ (or D+) ion bombardment and/or atomic H (respectively D) adsorption. A connection between STM images and the reactivity of defective graphite surfaces towards H is also proposed