von Pezold, J.; Neugebauer, J.: Hydrogen enhanced local plasticity - An atomistic study. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Neugebauer, J.: Ab initio design of engineering materials: Status and challenges. UCSB-MPG Workshop on Inorganic Materials for Energy Conversion, Storage and Conservation, UCLA Lake Arrowhead Conference Center, CA, USA (2008)
Neugebauer, J.: Ab initio based modeling of engineering materials: From a predictive thermodynamic description to tailored mechanical properties. UCSB Seminar, University of California, Santa Barbara, USA (2008)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles Determination of Phase Transitions in Magnetic Shape Memory Alloys. Group Seminar in Materials Department, University of California (UCSB), Santa Barbara, CA, USA (2008)
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Using Ab Initio to Predict Engineering Parameters in bcc Magnesium-Lithium Alloys. Deutsche Physikalische Gesellschaft Meeting, Berlin, Germany (2008)
Neugebauer, J.: Ab initio basiertes Computergestütztes Materialdesign: Von der chemischen Bindung zu realen Werkstoffeigenschaften. Seminar at the TU Clausthal, TU Clausthal, Germany (2008)
Marquardt, O.; Hickel, T.; Neugebauer, J.: Optical properties of semiconductor nanostructures, a PW-approach to real-space properties. MRL seminar at UCSB, UCSB, Santa Barbara, USA (2008)
Grabowski, B.; Hickel, T.; Neugebauer, J.: From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. Phonon Workshop, Krakau, Poland (2007)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in magnetic shape memory alloys. 2nd Workshop on ab initio phonon calculations, Cracow, Poland (2007)
Neugebauer, J.: Ab initio thermodynamic and kinetics based on material design: Present status and perspectives. Seminar at the University of Oxford, Dept. of Materials, Oxford, UK (2007)
Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Phase stability and mechanical properties of alloys. International Max-Planck Workshop on Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
Neugebauer, J.: Ab initio thermodynamics. International Max-Planck Workshop Multiscale Materials Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
Friák, M.; Neugebauer, J.: First principles study of the anomalous volume-composition effect in Fe-Al and Fe-Ga alloys. 4th Discussion Meeting on the Development of Innovative Iron Aluminum Alloys, Interlaken, Switzerland (2007)
Abu-Farsakh, H.; Neugebauer, J.: Ab-initio study of the thermodynamics and kinetics of N at GaAs(001) surface. PAW workshop 2007, Goslar, Germany (2007)
The group aims at unraveling the inner workings of ion batteries, with a focus on probing the microstructural and interfacial character of electrodes and electrolytes that control ionic transport and insertion into the electrode.
The full potential of energy materials can only be exploited if the interplay between mechanics and chemistry at the interfaces is well known. This leads to more sustainable and efficient energy solutions.
In order to develop more efficient catalysts for energy conversion, the relationship between the surface composition of MXene-based electrode materials and its behavior has to be understood in operando. Our group will demonstrate how APT combined with scanning photoemission electron microscopy can advance the understanding of complex relationships…
To advance the understanding of how degradation proceeds, we use the latest developments in cryo-atom probe tomography, supported by transmission-electron microscopy. The results showcase how advances in microscopy & microanalysis help bring novel insights into the ever-evolving microstructures of active materials to support the design of better…
The worldwide developments of electric vehicles, as well as large-scale or grid-scale energy storage to compensate the intermittent nature of renewable energy generation has generated a surge of interest in battery technology. Understanding the factors controlling battery capacity and, critically, their degradation mechanisms to ensure long-term…
Water electrolysis has the potential to become the major technology for the production of the high amount of green hydrogen that is necessary for its widespread application in a decarbonized economy. The bottleneck of this electrochemical reaction is the anodic partial reaction, the oxygen evolution reaction (OER), which is sluggish and hence…