Zhang, S.; Diehl, L.; Lotsch, B. V.; Scheu, C.: In-situ heating study on the growth of NiOx nanoparticles on photocatalytic supports. International GRK 1896 Satellite Symposium “In Situ Microscopy with Electrons, X-rays and Scanning Probes, Erlangen, Germany (2017)
Betzler, S. B.; Scheu, C.: Nb3O7(OH) – a promising candidate for photocatalyst: synthesis, nanostructure and functionality. International Conference on Functional Nanomaterials and Nanodevices, Budapest, Hungary (2017)
Garzón-Manjón, A.; Zahn, G.; Kuchshaus, C.; Ludwig, A.; Scheu, C.: Observation of the Structural Transformation of Multinary Nanoparticles by In-situ Transmission Electron Microscopy. 13th Multinational Congress on Microscopy (MCM2017), Rovinj, Croatia (2017)
Scheu, C.: Structural and functional properties of Nb3O7(OH) nanoarrays and their modification via doping and thermal annealing. Talk at Institut für Werkstofftechnik, Technische Universität Ilmenau, Ilmenau, Gemany (2017)
Scheu, C.: Interface structure of Kappa-Carbides in high Mn Steels. 3 Phase, Interface, Component Systems (PICS), Centre Interdisciplinaire de Nanoscience de Marseille (CINaM), Marseille, France (2017)
Raabe, D.; Gault, B.; Yao, M.; Scheu, C.; Liebscher, C.; Herbig, M.: Correlated and simulated electron microscopy and atom probe tomography. Workshop on Possibilities and Limitations of Quantitative Materials Modeling and Characterization 2017, Bernkastel, Germany (2017)
Scheu, C.: Grain growth and dewetting of thin Al films on (0001) Al2O3 substrates. 3 Phase, Interface, Component Systems (PICS), Centre Interdisciplinaire de Nanoscience de Marseille (CINaM), Marseille, France (accepted)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
The computational materials design department in collaboration with the Technical University Darmstadt and the Ruhr University Bochum developed a workflow to calculate phase diagrams from ab-initio. This achievement is based on the expertise in the ab-initio thermodynamics in combination with the recent advancements in machine-learned interatomic…
Complex simulation protocols combine distinctly different computer codes and have to run on heterogeneous computer architectures. To enable these complex simulation protocols, the CM department has developed pyiron.
In order to estimate the kinetics of thermally activated processes, one must determine the energy of the transition state. This transition state is a first-order saddle point on the potential energy surface, i.e., it is a maximum along the reaction coordinate, but a minimum with respect to all other directions in configurational space. We have…
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…
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.
The structure of grain boundaries (GBs) is dependent on the crystallographic structure of the material, orientation of the neighbouring grains, composition of material and temperature. The abovementioned conditions set a specific structure of the GB which dictates several properties of the materials, e.g. mechanical behaviour, diffusion, and…