Publications

Yang, G.; Wang, Z.; Liu, Y.; Mattlat, D. A.; Hu, L.; Liu, F.; Scheu, C.; Snyder, G. J.; Wuttig, M.; Yu, Y. et al.; Zhang, S.; Zhang, C.: Grain boundary complexions stabilize Mg3Sb2-based thermoelectric devices with superior performance. Joule 10 (102443) (2026)

Guo, G.; Paciok, P.; Bienvenu, B.; Bai, L.; Ratzker, B.; Heggen, M.; Zhou, X.; Raabe, D.: Cation Diffusion-Mediated Displaced Reaction-Transformation in Green Steelmaking. Advanced Science, e76583 (2026)

Ratzker, B.; Favelukis, B.; Krämer, M.; Freysoldt, C.; Kushnir, Y.; Nitsan, A.; Upcher, A.; Maman, N.; Messer, O.; Raabe, D. et al.; Gault, B.; Sokol, M.: From 2D MXenes to 3D Carbides: Transformation of Ti₃C₂T_z Thin Films into TiC_x Carbide Nanolayers. Nano Letters 26 (15), pp. 5071 - 5077 (2026)

Polin, N.; Shen, S.; Maccari, F.; Aubert, A.; Adabifiroozjaei, E.; Smoliarova, T.; Yang, Y.; Chen, X.; Skourski, Y.; Saxena, A. et al.; Kovács, A.; Dunin-Borkowski, R.; Farle, M.; Xu, B.-X.; Molina-Luna, L.; Gutfleisch, O.; Gault, B.; Skokov, K.: Direct observation of nanoscale pinning centers in Ce(Co0.8Cu0.2)5.4 permanent magnets. Acta Materialia 307, 121906 (2026)

Götz, R.; Pyyhtiä, K.; Li, B.; Sarpey, T.; Song, K.; Todorova, M.; Kukharchyk, N.; Schreier, S.; Peljo, P.; Gubanova, E. et al.; Neugebauer, J.; Bandarenka, A.: In Situ EC‐EPR Spectroscopy and DFT Analysis of HUPD on Polycrystalline Pt. ChemSusChem 19 (5), e202501908 (2026)

Li, Y.; Wei, Y.; Saxena, A.; Kühbach, M.; Freysoldt, C.; Gault, B.: Machine learning enhanced atom probe tomography analysis. Progress in Materials Science 156, 101561 (2026)

Brinckmann, S.; Menon, S.; Röske, R.; Steinhülb, J.; Selzer, M.; Janssen, J.; Hickel, T.; Schwaiger, R.; Neugebauer, J.: A Lightweight Procedural Layer for Hybrid Experimental-Computational Workflows in Materials Science. Advanced Engineering Materials, e202503176 (2026)

Wu, X.; Sun, Z.; Guo, W.; Liu, C.; Yan, Y.-Q.; Zhang, Y.; Ikeda, Y.; Körmann, F.; Neugebauer, J.; Li, Z. et al.; Gault, B.; Wu, G.: Microstructural origin of the simultaneous enhancements in strength and ductility of a nitrogen-doped high-entropy alloy. Acta Materialia 304, 121753 (2026)

Geng, X.; Lu, X.; Mei, Z.; Wang, Z.; Gault, B.: Decoding Short-Range Order in Amorphous Two-Dimensional Nanosheets for Efficient and Durable Ampere-Level Seawater Electrolysis: A Case Study of Amorphous Ni(OH)₂. Advanced Energy Materials, e04584 (2025)

Giron, S.; Polin, N.; Adabifiroozjaei, E.; Yang, Y.; Maccari, F.; Kovács, A.; Almeida, T.; Ohmer, D.; Üstüner, K.; Saxena, A. et al.; Katter, M.; Radulov, I.; Freysoldt, C.; Dunin-Borkowski, R.; Farle, M.; Durst, K.; Zhang, H.; Alff, L.; Ollefs, K.; Xu, B.-X.; Gutfleisch, O.; Molina-Luna, L.; Gault, B.; Skokov, K.: Identifying grain boundary and intragranular pinning centres in Sm₂(Co,Fe,Cu,Zr)₁₇ permanent magnets to guide performance optimisation. Nature Communications 16 (1), 11335 (2025)

Hachet, G.; Wei, S.; Tehranchi, A.; Dong, X.; Lestang, J.; Zhang, A.; Sun, B.; Zaefferer, S.; Gault, B.; Ponge, D. et al.; Raabe, D.: Protection of metal interfaces against hydrogen-assisted cracking. Nature Communications 16 (1), 11032 (2025)

Przybilla, T.; Xie, Z.; Prakash, A.; Thiess, E.; Niekiel, F.; Apeleo Zubiri, B.; Mačković, M.; Schweizer, P.; Guenole, J.; Kelly, S. et al.; Bale, H.; Wang, D.; Sandfeld, S.; Bitzek, E.; Spiecker, E.: Revealing nanoscale plasticity of metallic nanosponges with correlative and scale-bridging 3D microscopy and modelling. Communications Materials 6 (1), 204 (2025)

Zhou, X.; Mathews, P.; Berkels, B.; Delis, W.; Saood, S.; Shamseldeen Ali Alhassan, A.; Keuter, P.; Schneider, J.; Korte-Kerzel, S.; Sandlöbes-Haut, S. et al.; Raabe, D.; Neugebauer, J.; Dehm, G.; Hickel, T.; Scheu, C.; Zhang, S.: Materials Design by Constructing Phase Diagrams for Defects. Advanced Materials 37 (3), 2402191 (2025)

Syed, F. W.; Saikia, U.; Sun, B.; Kiranbabu, S.; Tehranchi, A.; Hickel, T.; Zaefferer, S.; Ponge, D.: Interfacial segregation of carbon atoms: the competition between grain boundaries and phase boundaries. Scripta Materialia 268, 116842 (2025)

Dong, X.; Wei, S.; Tehranchi, A.; Saksena, A.; Ponge, D.; Sun, B.; Raabe, D.: The dual role of boron on hydrogen embrittlement: example of interface-related hydrogen effects in an austenite-ferrite two-phase lightweight steel. Acta Materialia 299, 121458 (2025)

Janßen, J.; George, J.; Geiger, J.; Bercx, M.; Wang, X.; Ertural, C.; Schaarschmidt, J.; Ganose, A. M.; Pizzi, G.; Hickel, T. et al.; Neugebauer, J.: A python workflow definition for computational materials design. Digital Discovery 4, pp. 3149 - 3161 (2025)

Zhao, Y.; Rajkowski, M.; Gong, Y.; Laube, S.; Perrière, L.; Kauffmann, A.; Couzinié, J.-P.; Laplanche, G.; Li, T.: Role of oxygen in phase stability and mechanical behavior of the bcc HfNbTaTiZr high-entropy alloy during aging. Acta Materialia 298, 121400 (2025)

Katnagallu, S.; Mattoso, S. H.; Zhao, H.; Kim, S.-H.; Yang, J.; Gault, B.; Freysoldt, C.; Neugebauer, J.: Electric field induced formation of a two-dimensional adatom gas on cryogenic Li surfaces. Physical Review B 112 (11), 115426 (2025)

Srinivas Varanasi, R.; Waseda, O.; Syed, F. W.; Prithiv, T. S.; Gault, B.; Neugebauer, J.; Ponge, D.: Temperature and misorientation-dependent austenite nucleation at ferrite grain boundaries in a medium manganese steel: role of misorientation-dependent grain boundary segregation. Acta Materialia 296, 121242 (2025)

Shi, H.; Zhang, X.; Liu, C.; Gong, X.; Li, Y.; Azmi, R.; Gong, Y.; Ponge, D.; Weisenburger, A.; Müller, G.: Exceptional high-temperature corrosion resistance of multi-component alloys via modulating Al and Nb. Corrosion Science 253, 112990, p. 112990 (2025)