Structures of small Ti- and V-doped Pt clusters: A GA-DFT study

High level GA-DFT searches are performed on small platinum clusters doped with early transition metal atoms, Ptx-yMy (M = Ti, V), where x = 2-6, y = 1, 2. Spin effects are studied and the global minimum structures are presented for the various spin multiplicities. It is found that varying spin can have significant effects on the pure Pt clusters, while spin has less effect for the doped clusters. (C) 2013 The Authors. Published by Elsevier B.V. All rights reserved.