Fine-tuning stability of La-Ni-Sn-H materials for hydrogen storage

• Autoři: FRIÁK Martin; KOVAŘÍKOVÁ OWEIS Sabina; DOČKALOVÁ Kateřina; HUŇAŘOVÁ Anna; PAVLŮ Jana; ZOBAČ Ondřej; HOLEC David; KAWULOKOVÁ Monika; ZLÁ Simona; SMETANA Bedřich
• Rok publikování: 2025
• Druh: Konferenční abstrakty
• Fakulta / Pracoviště MU: Přírodovědecká fakulta
• Popis: The thermodynamics of hydrogen storage in La–Ni–Sn materials is complex. We focused on the solubility of Sn in LaNi5. Our calculations confirm the existence of a miscibility gap. Sn atoms destabilize LaNi5 but in a non trivial manner when LaSn5 is unstable both thermodynamically and mechanically (there are imaginary frequency „soft“ phonon modes) but miscibility gap end members are stable.