Related papers: Structure evolution of nanoparticulate Fe2O3
The crystal structure of the iron oxide gamma-Fe2O3 is usually reported in either the cubic system (space group P4332) with partial Fe vacancy disorder or in the tetragonal system (space group P41212) with full site ordering and c/a\approx…
A cluster deposition method was used to produce films of loosely aggregated nanoclusters (NC) of Fe core-Fe3O4 shell or fully oxidized Fe3O4. Films of these NC on Si(100) or MgO(100)/Fe3O4(100) were irradiated to 10^16 Si2+/cm2 near room…
The structural control of silicon nanocrystals is an important technological problem. Typically a distribution of nanocrystal sizes and shapes emerges under the uncontrolled aggregation of smaller clusters. The aim of this computational…
Bimetallic nanoparticles (often known as nanoalloys) with core-shell arrangement are of special interest in several applications, such as in optics, catalysis, magnetism and biomedicine. Despite wide interest in applications, the physical…
We investigated the relative stability of the amorphous vs crystalline nanoparticles of size ranging between 0.8 and 1.8 nm. We found that, at variance from bulk systems, at low T small nanoparticles are amorphous and they undergo to an…
We present ab-initio calculations of the electronic structure of small Fe clusters (1-9 atoms) on Ni(001), Ni(111), Cu(001) and Cu(111) surfaces. Emphasis is given on the spin moments, and their dependence on cluster size and shape. We…
We examine nanoparticles (NPs) forming polyhedral sections of the ideal cubic lattice, simple (sc), body centered (bcc), and face centered (fcc) cubic, which are confined by facets characterized by densest and second densest {h k l}…
The evolution of a continuous Fe(NO3)3 catalyst film was observed by in-situ annealing in a Transmission Electron Microscope (TEM). Such catalysts are routinely used in the catalytic growth of carbon nanotubes. The experiments reveal that…
The structural stability, electronic properties and NH$_3$ adsorption properties of pristine, Ti, Zr and F substituted $\alpha$-MoO$_3$ nanostructures are successfully studied using density functional theory with B3LYP/LanL2DZ basis set.…
What are the mechanisms leading to the shape relaxation of three dimensional crystallites ? Kinetic Monte Carlo simulations of fcc clusters show that the usual theories of equilibration, via atomic surface diffusion driven by curvature, are…
Atomic structure of a mono-dispersive hematite ($\alpha$-Fe$_2$O$_3$) nanocube $(0 1\bar1 2)$ surface was determined with synchrotron X-ray diffraction. The $\alpha$-Fe$_2$O$_3$ nanocubes were prepared through a hydrothermal process and a…
A continuum theory is employed to numerically study the equilibrium orientation and defect structures of a circular cylindrical particle with flat ends under a homeotropic anchoring condition in a uniform nematic medium. Different aspect…
The amorphous aluminium silicate (Al2O3)2(SiO2) [AS2] is investigated by means of large scale molecular dynamics computer simulations. We consider fully equilibrated melts in the temperature range 6100K >= T >= 2300K as well as glass…
We have carried out the powder x-ray diffraction and dielectric studies on multiferroic particulate composite xNi0.9Zn0.1Fe2O4/(1-x)PbZr0.52Ti0.48O3 with x=0.15, 0.30, 0.45, 0.60, 0.75 and 0.90 to explore the structural and ferroelectric…
The structural parameters of $\epsilon$-FeGe have been determined at ambient conditions using single crystal refinement. Powder diffraction have been carried out to determine structural properties and compressibility for pressures up to 30…
An effective Hamiltonian scheme is developed to investigate structural and magnetic properties of BiFeO3 nanodots under short-circuit-like electrical boundary conditions. Various striking effects are discovered. Examples include (a) scaling…
The new insights into the atomic structure empower one to develop materials by a bottom-up approach. The study of colloids is profitable in many ways. Considering the research in this field is beneficial. Developing tiny metallic particles…
We characterize nanostructures of Bi2Se3 that are grown via metalorganic chemical vapor deposition using the precursors diethyl selenium and trimethyl bismuth. By adjusting growth parameters, we obtain either single-crystalline ribbons up…
Fe3Si/Al/Fe3Si/GaAs(001) structures were deposited by molecular-beam epitaxy and characterized by transmission and scanning electron microscopy, and x-ray diffraction. The first Fe3Si film on GaAs(001) is growing epitaxially as (001)…
First-principles calculations were conducted to investigate the structural, electronic and magnetic properties of single Fe atoms and Fe dimers on Cu2N/Cu(100). Upon adsorption of an Fe atom onto Cu2N/Cu(100), robust Fe-N bonds form,…