Journal Article (39)
21.
Journal Article
42, pp. 551 - 560 (2021)
Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study. Journal of Phase Equilibria 22.
Journal Article
126 (16), 166802 (2021)
Impact of Water Coadsorption on the Electrode Potential of H–Pt(1 1 1)-Liquid Water Interfaces. Physical Review Letters 23.
Journal Article
5 (4), 044605 (2021)
Efficient electronic passivation scheme for computing low-symmetry compound semiconductor surfaces in density-functional theory slab calculations. Physical Review Materials 24.
Journal Article
14 (8), 1837 (2021)
A Combined Experimental and First-Principles Based Assessment of Finite-Temperature Thermodynamic Properties of Intermetallic Al3Sc. Materials 25.
Journal Article
126 (13), 136803 (2021)
Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach. Physical Review Letters 26.
Journal Article
3 (3), pp. 1107 - 1114 (2021)
Tunable Threshold Voltage of ZnTe-Based Ovonic Switching Devices via Isovalent Cation Exchange. ACS Applied Electronic Materials 27.
Journal Article
14 (5), 1280 (2021)
Simulation of the θ’ precipitation process with interfacial anisotropy effects in Al–Cu alloys. Materials 28.
Journal Article
31 (7), 2007668 (2021)
Beyond Solid Solution High‐Entropy Alloys: Tailoring Magnetic Properties via Spinodal Decomposition. Advanced Functional Materials 29.
Journal Article
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 30.
Journal Article
103 (2), 024421 (2021)
Ab initio based models for temperature-dependent magnetochemical interplay in bcc Fe–Mn alloys. Physical Review B 31.
Journal Article
103 (2), 024410 (2021)
Short period magnetization texture of B20–MnGe explained by thermally fluctuating local moments. Physical Review B 32.
Journal Article
14, pp. 1830 - 1836 (2021)
Design of compositionally complex catalysts: Role of surface segregation. Journal of Materials Research and Technology 33.
Journal Article
Reflections on the Spatial Performance of Atom Probe Tomography in the Analysis of Atomic Neighborhoods. Microscopy and Microanalysis, pp. 1 - 11 (2021)
34.
Journal Article
104 (18), 184107 (2021)
Impact of magnetic transition on Mn diffusion in alpha-iron: Correlative state-of-the-art theoretical and experimental study. Physical Review B 35.
Journal Article
66 (2021)
Defect phases–thermodynamics and impact on material properties. International Materials Reviews 36.
Journal Article
103 (5), 054506 (2021)
Ab initio study of the structural response to magnetic disorder and van der Waals interactions in FeSe. Physical Review B 37.
Journal Article
Workflow Engineering in Materials Design within the BATTERY 2030+Project. Advanced Energy Materials, 2102638 (2021)
38.
Journal Article
101 (1), pp. 59 - 76 (2021)
The role of electric current in the formation of white-etching-cracks. Philosophical Magazine 39.
Journal Article
Origins of the hydrogen signal in atom probe tomography. Condensed Matter: Materials Science (2021)
Book Chapter (1)
40.
Book Chapter
Iron-rich High Entropy Alloys. In: High-Performance Ferrous Alloys, pp. 389 - 421 (Ed. Rana, R.). Springer Nature Switzerland, Cham, Switzerland (2021)