Search results for "rutile"
showing 10 items of 89 documents
Structural characterization of TiNxOy/TiO2 single crystalline and nanometric multilayers grown by LP-MOCVD on (110)TiO2
2001
TiO2/TiNxOy superlattices were grown by Low Pressure-Metal-Organic Vapor Phase Epitaxy (LP-MOVPE) technique at deposition temperatures ranking from 650 to 750°C. The growth was performed on top of TiO2(110) rutile substrates. Intense peaks observed in the X-rays rocking curves and θ-2θ diffraction patterns show the presence of crystalline epilayers. The TiNxOy layers were grown in a (200) cubic structure on the (110) quadratic TiO2 epilayer structure. Transmission electron microscopy confirmed the XRD results and showed the formation of periodic and well structured epilayers.
Low-pressure ferroelastic phase transition in rutile-type AX2 minerals: cassiterite (SnO2), pyrolusite (MnO2) and sellaite (MgF2)
2019
The structural behaviour of cassiterite (SnO2), pyrolusite (MnO2) and sellaite (MgF2), i.e. AX2-minerals, has been investigated at room temperature by in situ high-pressure single-crystal diffraction, up to 14 GPa, using a diamond anvil cell. Such minerals undergo a ferroelastic phase transition, from rutile-like structure (SG: P42/mnm) to CaCl2-like structure (SG: Pnnm), at ≈ 10.25, 4.05 and 4.80 GPa, respectively. The structural evolution under pressure has been described by the trends of some structure parameters that are other than zero in the region of the low-symmetry phase’s stability. In particular, three tilting-angles (ω, ω′, ABS) and the metric distortion of the cation-centred oc…
Synthesis of single crystalline sub-micron rutile TiO2 rods using hydrothermal treatment in acidic media
2014
Size engineered rutile sub-micron rods were obtained from nanostructured titania under acidic conditions. The synthesis was performed by hydrothermal treatment starting from TiO2-P25 and HCl. The synthesis proceeds in less than two hours and can be up-scaled to several grams in a one-pot reaction by increasing the reaction time. The product is single-phase, and the particles are single crystalline as confirmed by electron diffraction and powder X-ray diffraction analysis. The length of the particles can be varied over a wide range from 100 nm to 1.3 μm by changing the acid concentration. Particle growth is proposed to proceed by a dissolution-recrystallization process via soluble [TiCl6]2− …
A First Principles Study on Charge Dependent Diffusion of Point Defects in Rutile TiO2
2010
A first principles theoretical study on the diffusion mechanism of Ti interstitials and O vacancies in rutile TiO2 is reported. We find that the diffusion depends strongly on the defect charge. Wea...
Defect Luminescence Study in Tetragonal GeO2 Crystals
2000
The perovskite-or rutile-like GeO2 crystals were grown by the “top-seed” method from a fused germanium dioxide solution with sodium bicarbonate. The luminescence was studied under cathode-, x-ray, and photo-excitation. There are two luminescence bands at 550 nm and 400 nm with slow (100–200 µs) and fast (<20 ns) decay, respectively. The luminescence can be excited either by intra-center and electron-hole recombination processes. An analogous luminescence, however with strong non-exponential decay, is observed in glassy materials obtained from the frozen solution. Sodium-germanate glasses melted under oxygen deficient condition also possess similar luminescence, therefore the luminescence is…
Preparation in mild conditions of photocatalytically active nanostructured TiO2 rutile
2006
Abstract Nano structured TiO 2 rutile samples were prepared in mild conditions by hydrolysis of TiCl 4 in different solutions. The powders revealed a fair photoactivity for the photoeatalytic degradation of 4-nitrophenol. The influence of preparation procedure, pH and presence of Cl − and N 3 − anions on the physicochemical features and photocatalytic activity of the powders was investigated.
Molybdenum Clusters on a TiO2(110) Substrate Studied by Density Functional Theory.
2009
International audience; A theoretical study on molybdenum clusters adsorbed on a rutile TiO2(110) substrate is reported. Using density functional theory, equilibrium geometries, atomic charges, and total energies have been calculated for clusters containing up to five Mo atoms. Isolated Mo adatoms are strongly oxidized and repel each other. The Mo oxidation state is considerably lowered as soon as the first short Mo−Mo bond is formed. The relative stability of different cluster geometries can be understood from the competition between Mo−Mo and Mo−O bonding. Some low-energy structures for two and three Mo atoms involve large displacements of a substrate oxygen atom. The most stable five-ato…
Nano-inclusion suite and high resolution micro-computed-tomography of polycrystalline diamond (framesite) from Orapa, Botswana
2011
Abstract A single polycrystalline diamond aggregate from the Orapa kimberlite (Botswana) contains a syngenetic micro- and nano-inclusion suite of magnetite, pyrrhotite, omphacite, garnet, rutile and C–O–H fluid in order of abundance. This suite of inclusions is distinctly different from those in fibrous diamonds, although the presence of sub-micrometer fluid inclusions provides evidence for a similarly important role of fluids in the genesis of polycrystalline diamond. It is the first study of polycrystalline diamond by High resolution μ-CT (Computed Tomography) reaching a resolution of 1.3 μm using polychromatic X-rays. Combined with Focused Ion Beam assisted Transmission Electron Microsco…
Four-faceted nanowires generated from densely-packed TiO2 rutile surfaces: Ab initio calculations
2013
Abstract Two-dimensional (2D) slabs and monoperiodic (1D) nanowires orthogonal to the slab surface of rutile-based TiO 2 structure terminated by densely-packed surfaces and facets, respectively, have been simulated in the current study. The procedure of structural generation of nanowires (NWs) from titania slabs (2D → 1D) is described. We have simulated: ( i ) (110), (100), (101) and (001) slabs of different thicknesses as well as ( ii ) [001]- and [110]-oriented nanowires of different diameters terminated by either four types of related {110} facets or alternating { 1 1 ¯ 0 } and {001} facets, respectively. Nanowires have been described using both the Ti atom-centered rotation axes as well…
Friction and wear properties of titanium and oxidised titanium in dry sliding against hardened C45 steel
2004
Abstract The aim of the paper is to present the results of conformal pin-on-disc tribological tests concerning the hard oxidised zone created in superficial layer of a titanium specimen sliding against the hardened to a hardness of 690 HV carbon C45 steel counterspecimen. Tribological testing was carried out at room temperature and at unlubricated conditions. After tests the structures and chemical compositions of the wear debris and worn surfaces were a subject of SEM and X-ray investigations. In comparison with the baseline the technical quality titanium/C45 steel couple, the wear and lifetime performance of the oxidised titanium/steel C45couple was markedly superior. Dominant wear debris…