The geometric and electronic structure of bimetallic oxide clusters is studied as a function of their composition with gas phase vibrational spectroscopy. Infrared multiple photon dissociation spectra of titanium-vanadium oxide cluster anions are measured in the 500 to 1200 wave number range and assigned on the basis of harmonic frequencies calculated using density functional theory. Singly sub...

A review is presented of the design and application of genetic algorithms for the geometry optimisation of clusters and nanoparticles, where the interactions between atoms, ions or molecules are described by a variety of potential energy functions. A general introduction to genetic algorithms is followed by a detailed description of the genetic algorithm program that we have developed to identi...

We report the synthesis, characterization, and computational rationalization of the first trimetallic deltahedral Zintl ions. The novel nine-atom clusters were structurally characterized as dimers of [(Sn(6)Ge(2)Bi)(2)](4-) with Ge-Ge intercluster bonds. They are synthesized either by reacting bimetallic clusters (Sn(9-x)Ge(x))(4-) with BiPh(3) or by direct extraction from precursors with nomin...

Though the application of bimetallic nanoparticles is becoming increasingly important, the local atomistic structure of such alloyed particles, which is critical for tailoring their properties, is not yet very clearly understood. In this work, we present detailed study on the atomistic structure of Au-Cu nanoparticles so as to determine their most stable configurations and the conditions for ob...

Au-Pd bimetallic model catalysts were synthesized as alloy clusters on SiO2 ultrathin films under ultrahigh vacuum (UHV) conditions. The surface composition and morphology were characterized with low energy ion scattering spectroscopy (LEIS), infrared reflection absorption spectroscopy (IRAS), and temperature programmed desorption (TPD). Relative to the bulk, the surface of the clusters is enri...

Gold-rhodium and gold-molybdenum layers were prepared on a nearly stoichiometric titania and characterized by LEIS, XPS and STM. In the Au-Rh bimetallic system, Rh atoms impinged onto Au clusters pregrown on TiO2(110) became covered by gold atoms. In contrast, Mo caused the disruption of gold nanoparticles.