Publications from the Defect Chemistry and Spectroscopy group
Journal Article (6)
1.
Journal Article
21 (12), 123020 (2019)
Imaging individual solute atoms at crystalline imperfections in metals. New Journal of Physics 2.
Journal Article
5 (1), 80 (2019)
Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 3.
Journal Article
21, 053025 (2019)
Quantification of solute deuterium in titanium deuteride by atom probe tomography with both laser pulsing and high-voltage pulsing: influence of the surface electric field. New Journal of Physics 4.
Journal Article
123 (5), pp. 3180 - 3187 (2019)
Predicting the Electrochemical Synthesis of 2D Materials from First Principles. The Journal of Physical Chemistry C 5.
Journal Article
58 (1), pp. 149 - 153 (2019)
Discovery of Elusive K4O6, a Compound Stabilized by Configurational Entropy of Polarons. Angewandte Chemie International Edition 6.
Journal Article
49, pp. 1 - 30 (2019)
Advances in Density-Functional Calculations for Materials Modeling. Annual Review of Materials Research Talk (11)
7.
Talk
Chemistry at Lattice Defects Probed at Atomic Scale. 20th International Union of Materials Research Societies International Conference in Asia IUMRS, Perth, Australia (2019)
8.
Talk
Ab initio description of coupling phenomena between magnetic and structural degrees of freedom. EASTMAG2019 – VII Euro-Asian Symposium “Trends in Magnetism”, Jekaterinburg, Russia (2019)
9.
Talk
Atomic scale phase separation tendencies in nanostructured copper alloys. 26th International Symposium on Metastable, Amorphous and Nanostructured Materials 2019 (ISMANAM 2019), Chennai, India (2019)
10.
Talk
Modelling of charged point defects with density-functional theory. 4th International Workshop on Models and Data for Plasma-Material Interaction in Fusion Devices, National Institute for Fusion Science (NIFS), Toki, Japan (2019)
11.
Talk
Chemistry at Lattice Defects Probed at Atomic Scale. The 53rd Annual Meeting of the Israel Society for Microscopy, Tel Aviv, Israel, Tel Aviv, Israel (2019)
12.
Talk
Interaction of Chemistry and Structure at Lattice Defects at Atomic Scale. Russell Berrie Nanotechnology Institute, Technion, Haifa, Israel, Haifa, Israel (2019)
13.
Talk
Imaging single vacancies and atoms using joint FIM and APT experiments. Conference on Possibilities and Limitations of Quantitative Materials Modeling and Characterization, Bernkastel-Kues, Germany (2019)
14.
Talk
Chemistry and Structure of Lattice Defects. Physics Colloquium, Faculty of Physics, University Duisburg-Essen, Duisburg, Germany (2019)
15.
Talk
Concepts and algorithms in SPHInX. Weierstraß-Institut für Angewandte Analysis und Stochastik, Online Seminar, Berlin, Germany (2019)
16.
Talk
From Atomistic Understanding to Engineering Design of Advanced Medium and High Manganese Steels. 4th International Conference on medium and high Manganese steels, Aachen, Germany (2019)
17.
Talk
Field evaporation from a density-functional theory perspective. University Stuttgart, Online Seminar, Stuttgart, Germany (2019)