Wahn, M.; Neugebauer, J.: Generalized Wannier functions: An efficient way to construct ab-initio tight-binding parameters for group-III nitrides. Physica Status Solidi B: Basic Research 243, 7, pp. 1583 - 1587 (2006)
Marquardt, O.; Wahn, M.; Lymperakis, L.; Hickel, T.; Neugebauer, J.: Implementation and application of a multi-scale approach to electronic properties of group III-nitride based semiconductor nanostructures. Workshop on Nitride Based Nanostructures, Berlin, Germany (2007)
Neugebauer, J.; Wahn, M.: Exact exchange within Kohn-Sham formalism. Standard and variational approach. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld (2006)
Wahn, M.; Neugebauer, J.: The Bandgaps of GaN and InN in Zinc-blende and Wurtzite Phase: DFT Calculations Using the Exact Exchange (EXX) Functional. Workshop Forschergruppe Bremen, Bad Bederkesa, Germany (2005)
Wahn, M.; Neugebauer, J.: Generalized Wannier functions: An accurate and efficient way to construct ab-initio tight-binding orbitals. DPG-Tagung, Berlin, Germany (2005)
Wahn, M.; Neugebauer, J.: Generalized Wannier Functions: An efficient way to construct ab-initio tight-binding orbitals for group-III nitrides. 6th International Conference on Nitride Semiconductors, Bremen, Germany (2005)
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…
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.
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…