2 papers
cond-mat.mtrl-sci2026
Interplay of B-Site Off-Centering and Molecular Orientations in the Mixed Hybrid Perovskite MAGe1xSnxI3
Erik Fransson, Apinya Ngoipala, Oskar Öjstedt +3
B-site mixing is a common strategy for tuning properties of halide perovskites. In the lead-free system MAGe1-xSn_xI3, it brings tilting and off-centering into competition. Using l…
cond-mat.mtrl-sci2026
Hydride formation and phase separation in palladium nanoparticles from a transferable atomic cluster expansion potential
Minaam Qamar, Apinya Ngoipala, Matous Mrovec +2
The palladium-hydrogen system is a prototype for hydrogen-metal interactions and underpins technologies such as hydrogen storage, catalysis and purification. Yet its nanoscale beha…