Dresden 2020 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 28: Computational Materials Modelling - Hydrogen in metals

MM 28.2: Talk

Tuesday, March 17, 2020, 14:30–14:45, IFW B

Hydrogen-Metal Surface Interactions Under Strong Electric Fields — •Michael Ashton, Christoph Freysoldt, and Jörg Neugebauer — Max Planck Institut für Eisenforschung, Düsseldorf, Deutschland

The way that hydrogen arrives at and interacts with charged metal surfaces has important implications for catalysis, corrosion, field evaporation, and energy storage. With a focus on the most ubiquitous hydrogen sources (atomic H, H2, and H2O) interacting with prototypical metal surfaces under strong (~10 V/nm) fields, we use ab initio calculations to investigate energetic pathways for forming some simple hydride molecules that have been observed during field evaporation of tungsten and magnesium. Our results shed light on the fundamental behavior of hydrogen under extreme fields, providing particular insight into the origin and role of hydrogen in atom probe tomography experiments where it is *unintentionally* detected from the environment.