Size-Dependent Structural Motifs in Ag${}_n$Mo (n = 2-13) Clusters: From Planar to Icosahedral Architectures

Samantha Ortega-Flores, Peter Ludwig Rodríguez-Kessler

We present a comprehensive density functional theory (DFT) study of Mo-doped silver clusters Ag${}_n$Mo ($n=1$-14), focusing on their structural, electronic, and bonding properties.…