Aydin, U.; Hickel, T.; Neugebauer, J.: Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
Aydin, U.; Hickel, T.; Neugebauer, J.: High-Throughput Computation: The solution enthalpy of hydrogen in 3d metals derived from first principles. International workshop on Materials Discovery by Scale-Bridging High-Throughput, Bochum, Germany (2010)
Aydin, U.; Hickel, T.; Neugebauer, J.: The solution enthalpy of hydrogen derived from first principles along the series of 3d metals. Ab initio description of Iron and Steel: Mechanical Properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends of the solution enthalpy of dilute hydrogen in 3d transition metals, derived from first principles. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
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…
This project targets to exploit or develop new methodologies to not only visualize the 3D morphology but also measure chemical distribution of as-synthesized nanostructures using atom probe tomography.