Novel metal oxides have been studied worldwide due to their potential uses in ecological refinement, particularly to eliminate organic impurities present in water. In this work, we report the preparation of Ni1-xCoxAl2O4-δ (where x=0, 0.05, 0.10, 0.15 and 0.20) nanoparticles by simple chemical precipitation route. The as-synthesized spinel particles w...

The structure and chemical composition of low-index surfaces of NiAl are investigated by grand canonical Monte Carlo simulations. Atomic interactions in NiAl are modeled by an embedded-atom potential fit to experimental and first-principles data. The simulations are performed at the temperature of 1200 K for the stoichiometric and two Ni-rich bulk compositions. For the ~110! surface, the top su...

While continuum descriptions of oxide film growth are well established, the local structural dynamics during oxide growth are largely unexplored. Here, we investigate this using scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS) for the example of alumina film growth on NiAl(110) following NO2 exposure. To maintain a well-defined system, we have adopted a cyclic grow...

We have studied the (110) surface of NiAl, an ordered alloy of B2 structure, using a plane-wave pseudopotential method. The clean surface and several oxidized surfaces were investigated, with oxygen coverages up to 1.5 ML (1 ML = 1 O-atom per surface metal atom). In order to compare the energies of the oxidized structures, which comprise different numbers of metal and oxygen atoms, one has to t...