Neugebauer, J.: Solvent-controlled single atom dissolution, surface alloying and Wulff shapes of nanoclusters; Electrocatalysis at electrocodes in the dry. Workshop: Research Area III, ZEMOS, Bochum, Germany (2016)
Neugebauer, J.: Collective variable description of crystal anharmonicity. IPAM Workshop II: Collective Variables in Classical Mechanics, Los Angeles, CA, USA (2016)
Neugebauer, J.: Modelling structural materials in extreme environments by ab initio guided multiscale simulations. International Workshop “Theory and Modelling of Materials in Extreme Environment", Abingdon, UK (2016)
Neugebauer, J.: Ab initio thermodynamic description of advanced structural materials: Status and challenges. Workshop “Ab-initio Based Modeling of Advanced Materials”, Yekaterinburg, Russia (2016)
Neugebauer, J.: Stahl: Wie ein alter Werkstoff sich immer wieder neu erfindet und damit Wissenschaft und Wirtschaft beflügelt. 129. Versammlung der Gesellschaft der deutschen Naturforscher und Ärzte, Greifswald, Germany (2016)
Dutta, B.; Hickel, T.; Neugebauer, J.: Intermartensitic Phase Boundaries in Ni–Mn–Ga Alloys: A Viewpoint from Ab initio Thermodynamics. 5th International Conference on Ferromagnetic Shape Memory Alloys, Sendai, Japan (2016)
Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: Thermodynamic properties of the quaternary Q phase in Al–Cu–Mg–Si: a combined ab-initio, phonon and compound energy formalism approach. International Conference on Advanced Materials Modelling (ICAMM), Rennes, France (2016)
Neugebauer, J.: Ab initio description of defects in materials under extreme conditions. 2016 Joint ICTP-CAS-IAEA School and Workshop on Plasma-Material Interaction in Fusion Devices, Hefei, China (2016)
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…