Dr.-Ing. Halil İbrahim Sözen (Postdoc)
Dr.-Ing. Halil İbrahim Sözen (Postdoc)
Current Research
Novel bifunctional electrocatalysts for fuel cell applications
- Ab intio thermodynamics and phase stabilities of complex materials
- First principles modeling of novel bifunctional electrocatalysts
- Atomistic investigations to design cell reversal tolerant anode
Publications
- S. Erdmann, H. İ. Sözen, F. Guillou, H. Yibole, T. Klüner, Theoretical and experimental investigations on Fe2P-type magnets: Effects of Si and Co substitution on physical and magnetic properties, Phys. Rev. Materials, 2024, 8, 094401.
- N. Y. Merkt, S. Erdmann, T. Klüner, H. İ. Sözen, Effect of Zr Substitution on the Nd-based Magnets: Theoretical Investigation of (Zr,Nd)(Fe,Ti)12 Compounds, J. Magn. Soc. Jpn., 2024.
- T. Wittemann, H. İ. Sözen, M. Oezaslan, and T. Klüner, Ab initio calculations of the chemisorption of atomic H and O on Pt and Ir metal and on bimetallic Pt x Ir y surfaces, Zeitschrift für Naturforschung B, 2024, 79, 177-190.
- S. Erdmann, T. Klüner, and H. İ. Sözen, Magnetic properties of rare-earth-lean ThMn12-type (Nd,X)Fe11Ti (X: Y and Ce) compounds: A DFT study, J. Magn. Magn. Mater, 2023, 572, 170645.
- Halil İ. Sözen, S. Ener, F. Maccari, B. Fayyazi, O. Gutfleisch, J. Neugebauer, and T. Hickel, Combined ab initio and experimental screening of phase stabilities in the Ce-Fe-Ti-X system (X = 3d and 4d metals), Phys. Rev. Materials, 2023, 7, 014410.
- H. İ. Sözen, Vacancy-based diffusion mechanisms in B2-FeAl: DFT study, Comp. Mater. Sci., 2022, 214, 111712.
- H. İ. Sözen, and T. Klüner, Ab initio phase stabilities of rare-earth lean Nd-based hard magnets, J. Magn. Magn. Mater., 2022, 559, 169529.
- H. İ. Sözen, E. Mendive-Tapia, T. Hickel, and J. Neugebauer, Ab initio investigations of point and complex defect structures in B2-FeAl, Phys. Rev. Materials, 2022, 6, 023603.
- H. İ. Sözen, T. Hickel und J. Neugebauer, Ab initio Investigations of Point and Complex Defect Structures in B2-FeAl, arXiv:2101.06050, 2021.
- H. İ. Sözen, T. Hickel und J. Neugebauer, Impact of Magnetism on the Phase Stability of Rare-Earth Based Hard Magnetic Materials, Calphad, 2020, 68, 101731.
- H. İ. Sözen, S. Ener, F. Maccari, K. P. Skokov, O. Gutfleisch, F. Körmann, J. Neugebauer und T. Hickel, Ab initio Phase Stabilities of Ce-based Hard Magnetic Materials and Comparison with Experimental Phase Diagrams, Phys. Rev. Mater., 2019, 3, 084407.
Dissertation (2019)
Title:
Titel:
Ab initio phase stabilities of Ce-based hard magnetic materials, Ruhr University, Bochum, Germany.