Publications from the Defect Chemistry and Spectroscopy group

Rijal, B.; Tan, A. M. Z.; Freysoldt, C.; Hennig, R. G.: Charged vacancy defects in monolayer phosphorene. Physical Review Materials 5 (12), 124004 (2021)

Morgado, F. F.; Katnagallu, S.; Freysoldt, C.; Klaes, B.; Vurpillot, F.; Neugebauer, J.; Raabe, D.; Neumeier, S.; Gault, B.; Stephenson, L.: Revealing atomic-scale vacancy-solute interaction in nickel. Scripta Materialia 203, 114036 (2021)

Morgado, F. F.; Katnagallu, S.; Freysoldt, C.; Klaes, B.; Vurpillot, F.; Neugebauer, J.; Raabe, D.; Neumeier, S.; Gault, B.; Stephenson, L.: Corrigendum to Revealing atomic-scale vacancy-solute interaction in nickel (Scripta Materialia (2021) 203, (114036) (S135964622100316X), (10.1016/j.scriptamat.2021.114036)). Scripta Materialia 205, 114213 (2021)

Wang, N.; Freysoldt, C.; Zhang, S.; Liebscher, C.; Neugebauer, J.: Segmentation of Static and Dynamic Atomic-Resolution Microscopy Data Sets with Unsupervised Machine Learning Using Local Symmetry Descriptors. Microscopy and Microanalysis 27 (6), pp. 1454 - 1464 (2021)

Gault, B.; Chiaramonti, A. N.; Cojocaru-Mirédin, O.; Stender, P.; Dubosq, R.; Freysoldt, C.; Makineni, S. K.; Li, T.; Moody, M. P.; Cairney, J. M.: Atom probe tomography. Nature reviews: Methods primers 1, 51 (2021)

Koprek, A.; Zabierowski, P.; Pawlowski, M.; Sharma, L.; Freysoldt, C.; Gault, B.; Würz, R.; Cojocaru-Mirédin, O.: Effect of Cd diffusion on the electrical properties of the Cu(In,Ga)Se₂ thin-film solar cell. Solar Energy Materials and Solar Cells 224, 110989 (2021)

Deißenbeck, F.; Freysoldt, C.; Todorova, M.; Neugebauer, J.; Wippermann, S. M.: Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach. Physical Review Letters 126 (13), 136803 (2021)

Srikakulapu, K.; Qin, Y.; Sreekala, L.; Morsdorf, L.; Herbig, M.: On the decomposition resistance of carbonitride precipitates during high-pressure torsion in X30CrMoN15-1 bearing steel. High Nitrogen Steel conference, HNS 2021, online, Shanghai, China (2021)

Neugebauer, J.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Freysoldt, C.; Todorova, M.: Design and application of an ab initio electrochemical cell. virtual DPG-Frühjahrstagung (DPG Spring Meeting) of the Surface Science Division, Berlin, Germany (2021)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Freysoldt, C.; Neugebauer, J.: Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. TMS 2021 Meeting, delivered online, Orlando, FL, USA (2021)

Freysoldt, C.; Hickel, T.; Janßen, J.; Wang, N.; Zendegani, A.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)

Hickel, T.; Freysoldt, C.; Janßen, J.; Wang, N.; Zendegani, A.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)