Freysoldt, C.; Hickel, T.; Janßen, J.; Wang, N.; Zendegani, A.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)
Hickel, T.; Freysoldt, C.; Janßen, J.; Wang, N.; Zendegani, A.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)
Freysoldt, C.: Modelling of charged point defects with density-functional theory. 4th International Workshop on Models and Data for Plasma-Material Interaction in Fusion Devices, National Institute for Fusion Science (NIFS), Toki, Japan (2019)
Freysoldt, C.: Ab initio simulations of charged surfaces. Workshop “High electric fields in electrochemistry and atom probe tomography", Ringberg Castle, Germany (2017)
Dehm, G.; Harzer, T. P.; Dennenwaldt, T.; Freysoldt, C.; Liebscher, C.: Chemical demixing and thermal stability of supersaturated nanocrystalline CuCr alloys: Insights from advanced TEM. MS&T '16, Materials Science & Technology 2016 Conference & Exhibition, Salt Lake City, UT, USA (2016)
The wide tunability of the fundamental electronic bandgap by size control is a key attribute of semiconductor nanocrystals, enabling applications spanning from biomedical imaging to optoelectronic devices. At finite temperature, exciton-phonon interactions are shown to exhibit a strong impact on this fundamental property.
Oxides find broad applications as catalysts or in electronic components, however are generally brittle materials where dislocations are difficult to activate in the covalent rigid lattice. Here, the link between plasticity and fracture is critical for wide-scale application of functional oxide materials.
In this project we study - together with the department of Prof. Neugebauer and Dr. Sandlöbes at RWTH Aachen - the underlying mechanisms that are responsible for the improved room-temperature ductility in Mg–Y alloys compared to pure Mg.
Efficient harvesting of sunlight and (photo-)electrochemical conversion into solar fuels is an emerging energy technology with enormous promise. Such emerging technologies depend critically on materials systems, in which the integration of dissimilar components and the internal interfaces that arise between them determine the functionality.
Enabling a ‘hydrogen economy’ requires developing fuel cells satisfying economic constraints, reasonable operating costs and long-term stability. The fuel cell is an electrochemical device that converts chemical energy into electricity by recombining water from H2 and O2, allowing to generate environmentally-friendly power for e.g. cars or houses…
The project Hydrogen Embrittlement Protection Coating (HEPCO) addresses the critical aspects of hydrogen permeation and embrittlement by developing novel strategies for coating and characterizing hydrogen permeation barrier layers for valves and pumps used for hydrogen storage and transport applications.
In this project, we work on a generic solution to design advanced high-entropy alloys (HEAs) with enhanced magnetic properties. By overturning the concept of stabilizing solid solutions in HEAs, we propose to render the massive solid solutions metastable and trigger spinodal decomposition. The motivation for starting from the HEA for this approach…