Publications from the Defect Chemistry and Spectroscopy group

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)

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)

Sarma, D.; Pegu, D.; Saikia, U.; Sahariah, M. B.: Exploring the effect of Ti on He clustering in CuZr metallic alloy. Physica Scripta 100 (7), 075918 (2025)

Freysoldt, C.: Correcting for electrostatic boundary artifacts in simulations of charged systems. Workshop „Boundary Conditions for Atomistic Simulations in Macroscopic Electrochemical Cells“, part of IPAM long term program „Bridging the Gap: Transitioning from Deterministic to Stochastic Interaction Modeling in Electrochemistry“, Los Angeles, CA, USA (2025)