Dynamics of Atomic and Molecular Hydrogen Collision with Tungsten Surfaces: Recent Theoretical Investigations

In the last years, our group has used Molecular Dynamics simulations to investigate collisions between H and H₂ and various tungsten surfaces, relying on Density Functional Theory for the description of the interactions. Here, recent works on the dynamics of scattering of H atoms on clean and H-covered W surfaces will be reviewed, focussing on energy transfers upon H reflection and H₂ recombination. Besides, recent results on the influence of O and N impurities on H₂ sticking will be presented.