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During operation of high-power nuclear fusion reactors plasma-facing components (PFCs) are exposed to challenging conditions. Due to its properties, pure tungsten is currently the preferred candidate for the plasma-facing material (PFM). [...]

The interplay between exchange interaction and spin-orbit coupling (SOC) in lowdimensional ferromagnetic systems plays a pivotal role in shaping their electronic and spin properties, with direct implications for spintronic applications. This thesisinvestigates the electronic structure of ultrathin epitaxial FePd alloy on Pd(001) using spin- and momentum-resolving photoemission spectroscopy, focusing on symmetry breaking and SOC-driven band hybridization. [...]

Spectral Deferred Correction (SDC) is a method for numerically integrating initial value problems. The method iteratively generates solutions to fully implicit Runge-Kutta methods with forward substitution using low order solves. [...]

All-solid-state lithium batteries (ASSBs) are considered a promising future battery technology due to their high safety and energy density. However, they are suffering from mechanical fatigue during cycling, caused by induced mechanical stresses by volume changes in the electrode active materials which is constrained by the solid electrolyte. [...]

Cost-Optimal Energy Deficits in Renewable Energy Systems. Fossil energies threaten human prosperity through environmental pollution, which is why renewable energies are needed as a sustainable alternative. [...]

Soil moisture is a key variable in the water and energy cycles at the atmosphere-land-vegetation interface. Accurate and continuous soil moisture data are essential for many applications, including water resources management, drought monitoring, and agricultural forecasting. [...]

Large-scale atomistic simulations rely on interatomic potentials providing an efficient representation of atomic energies and forces. Modern machine-learning (ML) potentials provide the most precise representation compared to electronic structure calculations while traditional empirical potentials provide a less precise, but computationally much faster representation and, thus, allow simulations of larger systems. [...]

As the world seeks cleaner and more efficient energy solutions, solar power has emerged as a key renewable option. Among the various technologies, III-V multi-junction solar cells absorb an extended range of the solar spectrum and thus achieve the highest conversion efficiencies in photovoltaics today. [...]

Proton-conducting electrolysis cells (PCECs) are critical to sustainable energy technologies, as they enable the production of undiluted hydrogen that can be readily compressed and stored. These cells are essential for establishing a hydrogen economy. [...]