Related papers: Structure evolution of nanoparticulate Fe2O3
Spatial confinement in nanoporous media affects the structure, thermodynamics and mobility of molecular soft matter often markedly. This article reviews thermodynamic equilibrium phenomena, such as physisorption, capillary condensation,…
Fission of metastable charged univalent metal clusters has been studied on example of Na_{10}^{2+} and Na_{18}^{2+} clusters by means of density functional theory methods. Energetics of the process, i.e. dissociation energies and fission…
We have studied the crystal and magnetic structures of Fe-doped hexagonal manganites LuMn1-xFexO3 (x = 0, 0.1, 0.2, and 0.3) by using bulk magnetization and neutron powder diffraction methods. The samples crystalize consistently in a…
Molten iron chlorides are central to emerging energy technologies, including electrochemical iron production and redox flow batteries. Optimizing their electrochemical performance and transport properties requires atomic-scale structural…
The catalytic activities of high-spin small Fe(III) oxides have been investigated for efficient hydrogen production through ammonia decomposition, using the Artificial Force Induced Reaction (AFIR) method within the framework of density…
In transition metal oxides, quantum confinement arising from a large surface to volume ratio often gives rise to novel physico-chemical properties at nanoscale. Their size dependent properties have potential applications in diverse areas,…
Alumina microplatelets coated with a small amount of Fe3O4 can be oriented via a rotating magnetic field to create texture. After ultrafast high-temperature sintering (UHS), Fe atoms are found at the grain boundaries and within the grains,…
GaAs nanowires and GaAs/Fe3Si core/shell nanowire structures were grown by molecular-beam epitaxy on oxidized Si(111) substrates and characterized by transmission electron microscopy. The surfaces of the original GaAs NWs are completely…
We address one of the main challenges to TiO2-photocatalysis, namely band gap narrowing, by combining nanostructural changes with doping. With this aim we compare TiO2's electronic properties for small 0D clusters, 1D nanorods and…
The crystal and magnetic structure of the magnetocaloric compound FeMnP0.5Si0.5 have been studied by means of neutron and X-ray powder diffraction. Single phase samples of nominal composition FeMnP0.5Si0.5 have been prepared by the drop…
The structural, electronic and magnetic properties of small ${\rm Fe}_m {\rm Rh}_n$ clusters having $N = m+n \leq 8$ atoms are studied in the framework of a generalized-gradient approximation to density-functional theory. The correlation…
We use ab initio density functional calculations to study the formation and structural as well as thermal stability of cellular foam-like carbon nanostructures. These systems with a mixed $sp^2/sp^3$ bonding character may be viewed as…
Surface nanobubbles are stable gaseous phases in liquids that form on solid substrates. While their existence has been confirmed, there are many open questions related to their formation and dissolution processes along with their structures…
Samarium doped BiFeO3 compounds having nano-size crystallites were prepared by the ethylene glycol assisted sol-gel synthesis method. X-ray diffraction and SEM measurements as well as Raman spectroscopy and FTIR experiments were used to…
We report on the growth of nanostructured rods fabricated by electrostatic co-assembly between iron oxide nanoparticles and polymers. The nanoparticles put under scrutiny, {\gamma}-Fe2O3 or maghemite, have diameter of 6.7 nm and 8.3 nm and…
This study reports on the synthesis of ball-like bismuth ferrite BiFeO3 nanoflowers by means of microwave assisted hydrothermal process and also on their composition and mechanism of growth. It turns out that the petals of the nanoflowers…
Numerous different crystal structures of Ta2O5 are reported in literature. Although experimentally and computationally obtained lattice parameters and mechanical properties are in excellent agreement there is a pronounced deviation when it…
The shape of crystalline nanoparticles (NP) can often be described by polyhedra with flat facet surfaces. Thus, structural studies of polyhedral bodies can help to describe geometric details of NPs. Here we consider compact polyhedra of…
Aberration-corrected scanning electron microscopy (AC-STEM) can provide valuable information on the atomic structure of nanoclusters, an essential input for gaining an understanding of their physical and chemical properties. A systematic…
Multicomponent nanoparticles can be synthesized with either homogeneous or phase-segregated architectures depending on the synthesis conditions and elements incorporated. To understand the parameters that determine their structural fate,…