Structures and stability of small bimetallic In–Pd and Ag–Pd clusters: a DFT investigation

The structure and stability of small clusters In_nPd_{4 – n} and Ag_nPd_{4 – n} (n = 0–4) were calculated at the DFT PBE level. Bimetallic clusters InPd₃, AgPd₃ and Ag₂Pd₂ have tetrahedral structures, unlike bimetallic clusters In₂Pd₂, In₃Pd and Ag₃Pd, which are planar. In–Pd clusters are more stable than monoand bimetallic Ag–Pd clusters.