Publikationen von Christoph Freysoldt
Alle Typen
Zeitschriftenartikel (51)
1.
Zeitschriftenartikel
105 (1), 014103 (2022)
Limitations of empirical supercell extrapolation for calculations of point defects in bulk, at surfaces, and in two-dimensional materials. Physical Review B 2.
Zeitschriftenartikel
239, S. 339 - 356 (2022)
Impact of metastable defect structures on carrier recombination in solar cells. Faraday Discussions 3.
Zeitschriftenartikel
Status and Direction of Atom Probe Analysis of Frozen Liquids. Microscopy and Microanalysis, S. 1 - 18 (2022)
4.
Zeitschriftenartikel
5 (12), 124004 (2021)
Charged vacancy defects in monolayer phosphorene. Physical Review Materials 5.
Zeitschriftenartikel
203, 114036 (2021)
Revealing atomic-scale vacancy-solute interaction in nickel. Scripta Materialia 6.
Zeitschriftenartikel
205, 114213 (2021)
Corrigendum to Revealing atomic-scale vacancy-solute interaction in nickel (Scripta Materialia (2021) 203, (114036) (S135964622100316X), (10.1016/j.scriptamat.2021.114036)). Scripta Materialia 7.
Zeitschriftenartikel
27 (6), S. 1454 - 1464 (2021)
Segmentation of Static and Dynamic Atomic-Resolution Microscopy Data Sets with Unsupervised Machine Learning Using Local Symmetry Descriptors. Microscopy and Microanalysis 8.
Zeitschriftenartikel
1, 51 (2021)
Atom probe tomography. Nature reviews: Methods primers 9.
Zeitschriftenartikel
224, 110989 (2021)
Effect of Cd diffusion on the electrical properties of the Cu(In,Ga)Se2 thin-film solar cell. Solar Energy Materials and Solar Cells 10.
Zeitschriftenartikel
126 (13), 136803 (2021)
Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach. Physical Review Letters 11.
Zeitschriftenartikel
Reflections on the Spatial Performance of Atom Probe Tomography in the Analysis of Atomic Neighborhoods. Microscopy and Microanalysis, S. 1 - 11 (2021)
12.
Zeitschriftenartikel
4 (11), 114002 (2020)
First-principles investigation of charged dopants and dopant-vacancy defect complexes in monolayer MoS2. Physical Review Materials 13.
Zeitschriftenartikel
102 (14), 144101 (2020)
Atomic relaxation around defects in magnetically disordered materials computed by atomic spin constraints within an efficient Lagrange formalism. Physical Review B 14.
Zeitschriftenartikel
102 (4), 045403 (2020)
Generalized dipole correction for charged surfaces in the repeated-slab approach. Physical Review B 15.
Zeitschriftenartikel
4 (6), 064004 (2020)
Stability of charged sulfur vacancies in 2D and bulk MoS2 from plane-wave density functional theory with electrostatic corrections. Physical Review Materials 16.
Zeitschriftenartikel
124 (17), 176801 (2020)
Ab initio Description of Bond-Breaking in Large Electric Fields. Physical Review Letters 17.
Zeitschriftenartikel
101, 020102(R) (2020)
Finite-size corrections for defect-involving vertical transitions in supercell calculations. Physical Review B 18.
Zeitschriftenartikel
21 (12), 123020 (2019)
Imaging individual solute atoms at crystalline imperfections in metals. New Journal of Physics 19.
Zeitschriftenartikel
5 (1), 80 (2019)
Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 20.
Zeitschriftenartikel
123 (5), S. 3180 - 3187 (2019)
Predicting the Electrochemical Synthesis of 2D Materials from First Principles. The Journal of Physical Chemistry C