2 papers
cond-mat.mtrl-sci2026
Planar Structures of Medium-Sized Gold Clusters Become Ground States upon Ionization
Mohammad Ismaeil Safa, Ehsan Rahmatizad Khajehpasha, Stefan Goedecker
This study investigates the structural stability of ionized gold clusters of sizes ranging from 22 to 100 atoms, contrasting compact, cage and planar structures. While it is well k…
cond-mat.mtrl-sci2026
The transformation mechanisms among cuboctahedra, Ino's decahedra and icosahedra structures of magic-size gold nanoclusters
Ehsan Rahmatizad Khajehpasha, Mohammad Ismaeil Safa, Nasrin Eyvazi +2
Gold nanoclusters possess multiple competing structural motifs with small energy differences, enabling structural coexistence and interconversion. Using a high-accuracy machine lea…