Browsing Fakultät für Chemie (inkl. GAUSS) by Author "Wille, Sebastian"
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Computational Description of Chemical Bond Formation Using Neural-Network Potentials: H-Atom Scattering from Graphene
Wille, Sebastian (2022-08-01)When a hydrogen or a deuterium atom is interacting with a graphene surface during scattering events, its energy loss determines if the projectile will be adsorbed or scattered. The energy loss highly depends on the initial ...