A theoretical study on chemical ordering of 38-atom trimetallic Pd–Ag–Pt nanoalloys |
Two different chemical orderings of (a) Pd18Ag14Pt6 and (b) Pd20Ag12Pt6 nanoalloy structures at DFT level. The top row represents the re-optimization structures obtained at Gupta level and the bottom row represents the structures with Pt atoms forming core. |