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Comprehensive studies of gas-solid reactions require the in-situ interaction of the gas at a pressure beyond the operating pressure of ultrahigh vacuum (UHV) X-ray photoelectron spectroscopy (XPS). The recent progress of near ambient pressure XPS allows to ...
Reactions between gas molecules, e.g. H-2 and CO2 and solids take place at the surface. The electronic states and the local geometry of the atomic arrangement determine the energy of the adsorbate, i.e. the initial molecule and the transition state. Here w ...
Scanning electrochemical microscopy potentiometric determination of local hydrogen concentration and its flux next to the liquid|liquid interface was demonstrated. This method is based on the shift of open circuit potential of Pt-based reversible hydrogen ...
The power requirements of RF heated sources for negative hydrogen ions in fusion are substantial, which poses strong demands on the generators and components of the RF circuit. Consequently, an increase of the RF coupling efficiency would be highly benefic ...
Hydrogen-vacancy complexes can form in a material due to the exothermic binding of hydrogen atoms to vacancy sites. We explore the structure and electronic properties of hydrogen-vacancy complexes in delta-Pu using a density functional theory supercell app ...
Increasingly vast research efforts are devoted to the development of materials and processes for solar hydrogen production by light-driven dissociation of water into oxygen and hydrogen. Storage of solar energy in chemical bonds resolves the issues associa ...
The presence of elemental hydrogen is known to accelerate fatigue crack growth in aluminum alloys. However, a direct link between experimental data and the governing atomistic mechanisms has remained elusive. Here we present a series of computational studi ...
The effects of hydrogen charging on the mechanical response of FCC Ni and Pd under nanoindentation are systematically investigated by molecular dynamics simulations. Simulations consider a random H distribution and time scales prevent any diffusion of H du ...
Ferritic steels are the main candidates for the structural components of future fusion reactors. Because of the complexity of their structure, most of the simulation works are focused on the base phase of these materials such as alpha-Fe or Fe-Cr alloy. In ...
LiBH4 contains 18.5 wt% hydrogen and undergoes a structural phase transition (orthorhombic → hexagonal) at 381 K which is associated with a large increase in hydrogen and lithium solid-state mobility. We investigated the hydrogen dynamics in the low temper ...
