Nitric oxide (NO) reduction pathways are systematically studied on a (111) facet of the octahedral nickel (Ni85) nanocluster in the presence/absence of hydrogen. Thermodynamic (reaction free energies) and kinetic (free energy barriers, and temperature dependent reaction rates) parameters are investigated to find out the most favoured reduction pathway for NO reduction. The catalytic activity of...

The energy of the isolated iron-nickel nanocluster was calculated by molecular mechanics method using Lennard-Jones potential. The cluster included a carbon atom that drifted from an inside octahedral interstice to a tetrahedral interstice in [Formula: see text] direction and after that in <222> direction to the surface. In addition, one of 14 iron atoms was replaced by a nickel atom, the posit...

By using synchrotron X-rays as a probe and a nanofabricated smart tip of a tunneling microscope as a detector, we have achieved chemical fingerprinting of individual nickel clusters on a Cu(111) surface at 2 nm lateral resolution, and at the ultimate single-atomic height sensitivity. Moreover, by varying the photon energy, we have succeeded to locally measure photoionization cross sections of j...

In this study, we synthesized a powder consisting of core-shell-structured Ni/NiO nanocluster-decorated graphene (Ni/NiO-graphene) by a simple process for use as an anodic material for lithium-ion batteries. First, a crumpled graphene powder consisting of uniformly distributed Ni nanoclusters was prepared by one-pot spray pyrolysis. This powder was subsequently transformed into the Ni/NiO-graph...

Scanning tunneling microscopy studies reveal that two-dimensional nanoscale Ni islands formed by deposition of Ni on NiAl(110) between 200-400 K exhibit far-from-equilibrium growth shapes which change systematically with temperature. Island structure reflects the two types of adsorption sites available for Ni adatoms, and island shapes are controlled by the details of adatom diffusion along isl...

The aim of this research is to calculate the elastic constants and Bulk modulus of Cu-20 wt% Ni random Nanoalloy. The molecular dynamics simulation technique was used to calculate the mechanical properties in NPT ensemble. The interaction between atoms as well as cohesive energy in the Nanoalloy modeled systems was calculated by Morse et al. two body potential. Also the temperature of the syste...

the aim of this research is to calculate the elastic constants and bulk modulus of cu-20 wt% ni random nanoalloy. the molecular dynamics simulation technique was used to calculate the mechanical properties in npt ensemble. the interaction between atoms as well as cohesive energy in the nanoalloy modeled systems was calculated by morse et al. two body potential. also the temperature of the syste...

We have examined the effect of ordered silver nanocluster substrates on the surface-enhanced Raman spectrum of rhodamine 6G (R6G). Triangular shaped silver nanocluster arrays with order on the approximately 100 mum range were prepared using nanosphere lithography. Direct comparisons of R6G surface-enhanced Raman spectroscopy (SERS) signals between ordered nanocluster regions and amorphous Ag re...

We have methodically investigated the structural, spectroscopic, local atomic structure and magnetic properties of aquatic $${\text{Zn}}_{{1{\mathbf{ - }}x}} {\text{Ni}}_{x} {\text{S}}$$ (0 ≤ x 0.04) nanocrystals. The structural study synthesized samples is observed by X-ray diffraction data with Rietveld refinement. Proficient decrease lattice parameters inter-planar spacing are determined on ...