STUDY ON THE NON-STIOCHIOMETRIC SNO2-X NANOCRYSTALLINE MATERIAL BY XRD, XPS AND ESR

Nonstiochiometric SnO2-x nanocrystalline material were successfully prepared through Sol-Gel process using anhydrous stannic chloride and iso-propyl alcohol. TEM observation shows that the mean diameter of the powder sintered at 700 degrees C for 2 hours is about 20 nm. By the investigation of XRD and ESR, we can conclude that the sample sintered at 300 degrees C for 2 hours was amorphous and it grew into nanocrystalline with the oxygen vacancies and defects when sintered at 700 degrees C for 2 hours. Using these conclusion, the ESR signals and the difference between the two SnO2-x samples are explained.

Nanocrystalline La2Mo2O9 and its characterization

In this work, both the thermal expansion and electrical conductivity of nanocrystalline La2Mo2O9 were studied. The nanocrystalline powder of La2Mo2O9 was obtained by sol-gel method, and with the help of SHP (superhigh pressure) up to 4.5 x 10(4) atm at 700 degrees C for a short time, and the nanocrystalline powder was densified without obvious particle size growth. The electrical conductivity of nanocrystalline La2Mo2O9 was one order of magnitude lower than that of the microcrystalline sample at the same temperature. Owing to the phase transition, the microcrystalline La2MO2O9 has an abrupt increase of thermal expansion with a peak value of 48 x 10(-6) K-1 at 556 degrees C. For the nanocrystalline material, the peak value increases to 112 x 10(-6) K-1 at 520 degrees C. On the other hand, above 600 degrees C the significant growth of particle size of the nanocrystalline La2Mo2O9 was observed, accompanying by a tremendous increase of thermal expansion with a peak value of 1565 x 10(-6) K-1 at 620 degrees C. The electrical conductivity of La1.6Nd0.4Mo2O9 at 800 degrees C is 0.14 S center dot cm(-1) which is about one third higher than that of La2Mo2O9.

Crystallization of mechanically alloyed amorphous W-Mg alloy under high pressure

Pure metal powder mixtures of W and Mg at the desired composition were milled in conventional high-energy ball mill, and amorphous alloy W50Mg50 was obtained after milling for 20 h. The structure evolution of elemental powder mixtures was studied following milling and subsequent high pressure and high temperature treatment. The amorphous alloy transform into a nanocrystalline material below 1050 degreesC at 4.0 GPa. On increasing the temperature, it transforms into a mixture of several new crystal phases under high-pressure condition. It also found that both mechanical alloying and high pressure treatment are the two necessary processes to form the nanocrystalline and the new phases.

Micro-scale Mechanics of the Surface-Nanocrystalline Al-Alloy Material

Based on the microscopic observations and measurements, the mechanical behavior of the surface-nanocrystallized Al-alloy material at microscale is investigated experimentally and theoretically. In the experimental research, the compressive stress-strain curves and the hardness depth curves are measured. In the theoretical simulation, based on the material microstructure characteristics and the experimental features of the compression and indentation, the microstructure cell models are developed and the strain gradient plasticity theory is adopted. The material compressive stress-strain curves and the hardness depth curves-are predicted and simulated. Through comparison of the experimental results with the simulation results, the material and model parameters are determined.

Nanostructured bulk novel hard material with "rounded" grains obtained by nanocrystalline "rounded" (W0.5Al0.5)C powders

A novel nano-scaled bulk hard material (W0.5Al0.5)C-Co with "rounded" grains was prepared by nanocrystalline "rounded" (W0.5Al0.5)C powders with "rounded" particle shape in this study. The nano-scaled "rounded" particles do not contain sharp edges, which form local tensile stress concentrations on loading of the composite, thus leading to improved toughness and reduced sensitivity to crack. Nanocrystalline (W0.5Al0.5)C powders with "rounded" particle shape were used as starting materials. X-ray diffraction, scanning electron microscopy, and transmission electron microscopy were used to characterize the samples.

Nonuniformity Effect of Surface-Nanocrystalline Materials in Nanoindentation Test

In the present research, microstructures of the surface-nanocrystalline Al alloy material are observed and measured based on the transmission electron microscopy (TEM) technique, and the corresponding mechanical behaviors are investigated experimentally and theoretically. In the experimental research, the nanoindentation test method is used, and the load and microhardness curves are measured, which strongly depend on the grain size and grain size nonuniformity. Two kinds of the nanoindentation test methods are adopted: the randomly selected loading point method and the continuous stiffness method. In the theoretical modeling, based on the microstructure characteristics of the surface-nanocrystalline Al alloy material, a dislocation pile-up model considering the grain size effect and based on the Mott theory is presented and used. The hardness-indent depth curves are predicted and modeled.

Investigation on mechanical properties and size effect of nanocrystalline twin copper

The stress-strain relations of nanocrystalline twin copper with variously sized grains and twins are studied by using FEM simulations based on the conventional theory of mechanism-based strain gradient plasticity (CMSG). A model of twin lamellae strengthening zone is proposed and a cohesive interface model is used to simulate grain-boundary sliding and separation. Effects of material parameters on stress-strain curves of polycrystalline twin copper are studied in detail. Furthermore, the effects of both twin lamellar spacing and twin lamellar distribution on the stress-strain relations are investigated under tension loading. The numerical simulations show that both the strain gradient effect and the material hardening increase with decreasing the grain size and twin lamellar spacing. The distribution of twin lamellae has a significant influence on the overall mechanical properties, and the effect is reduced as both the grain size and twin lamellar spacing decrease. Finally, the FEM prediction results are compared with the experimental data.

Dislocations in the crystallites of nanocrystalline alpha-Fe - A molecular dynamics study

Molecular dynamics simulations are carried out in order to study the atomic structure of crystalline component, of nanocrystalline alpha-Fe when it is consolidated from small grains. A two-dimensional computational block is used to simulate the consolidation process. All the preset dislocations in the original grains glide out of them in the consolidation process, but new dislocations can generate when the grain size is large enough. It shows that dislocations exist in the consolidated material rather than in the original grains. Whether dislocations exist in the crystalline component of the resultant model nana-material depends upon grain size. The critical value of grain size for dislocation generation appears to be about 9 nm. This result agrees with experiments qualitatively.

Structural evolution of mechanically alloyed nanocrystalline FeAl intermetallics

Nanostructured FeAl intermetallics were prepared directly by mechanical alloying (MA) in a high-energy planetary ball-mill. The phase transformations and structural changes occurring in the studied material during mechanical alloying were investigated by X-ray diffraction (XRD). Transmission electron microscopy (TEM) was employed to examine the morphology of the powders. Thermal behavior of the milled powders was examined by differential scanning calorimetry (DSC). Disordered Fe(Al) solid solution was formed at the early stage. After 30 h of milling, Fe(Al) solid solution transformed into an ordered FeAl phase. The average crystallite size reduction down to about 12 nm was accompanied by the introduction of the average lattice strain up to 1.7%. The TEM picture showed that the size of milled powders was less than 30 nm. (c) 2007 Elsevier B.V. All rights reserved.

Structural phase transformations of ZnS nanocrystalline under high pressure

In-situ energy dispersive x-ray diffraction on ZnS nanocrystalline was carried out under high pressure by using a diamond anvil cell. Phase transition of wurtzite of 10 nm ZnS to rocksalt occurred at 16.0 GPa, which was higher than that of the bulk materials. The structures of ZnS nanocrystalline at different pressures were built by using materials studio and the bulk modulus, and the pressure derivative of ZnS nanocrystalline were derived by fitting the equation of Birch-Murnaghan. The resulting modulus was higher than that of the corresponding bulk material, which indicates that the nanomaterial has higher hardness than its bulk materials.

Hydrogenated p-type nanocrystalline silicon in amorphous silicon solar cells

A wide bandgap and highly conductive p-type hydrogenated nanocrystalline silicon (nc-Si:H) window layer was prepared with a conventional RF-PECVD system under large H dilution condition, moderate power density, high pressure and low substrate temperature. The optoelectrical and structural properties of this novel material have been investigated by Raman and UV-VIS transmission spectroscopy measurements indicating that these films are composed of nanocrystallites embedded in amorphous SiHx matrix and with a widened bandgap. The observed downshift of the optical phonon Raman spectra (514.4 cm(-1)) from crystalline Si peak (521 cm(-1)) and the widening of the bandgap indicate a quantum confinement effect from the Si nanocrystallites. By using this kind of p-layer, a-Si:H solar cells on bare stainless steel foil in nip sequence have been successfully prepared with a V c of 0.90 V, a fill factor of 0.70 and an efficiency of 9.0%, respectively. (c) 2006 Elsevier B.V. All rights reserved.

An investigation on the pressure-induced phase transition of nanocrystalline ZnS

An in situ energy dispersive x-ray diffraction study on nanocrystalline ZnS was carried out under high pressure up to 30.8 GPa by using a diamond anvil cell. The phase transition from the wurtzite to the zinc-blende structure occurred at 11.5 GPa, and another obvious transition to a new phase with rock-salt structure also appeared at 16.0 GPa-which was higher than the value for the bulk material. The bulk modulus and the pressure derivative of nanocrystalline ZnS were derived by fitting the Birch-Murnaghan equation. The resulting modulus was higher than that of the corresponding bulk material, indicating that the nanomaterial has higher hardness than the bulk material.

Hydrogenated p-type nanocrystalline silicon in amorphous silicon solar cells

A wide bandgap and highly conductive p-type hydrogenated nanocrystalline silicon (nc-Si:H) window layer was prepared with a conventional RF-PECVD system under large H dilution condition, moderate power density, high pressure and low substrate temperature. The optoelectrical and structural properties of this novel material have been investigated by Raman and UV-VIS transmission spectroscopy measurements indicating that these films are composed of nanocrystallites embedded in amorphous SiHx matrix and with a widened bandgap. The observed downshift of the optical phonon Raman spectra (514.4 cm(-1)) from crystalline Si peak (521 cm(-1)) and the widening of the bandgap indicate a quantum confinement effect from the Si nanocrystallites. By using this kind of p-layer, a-Si:H solar cells on bare stainless steel foil in nip sequence have been successfully prepared with a V c of 0.90 V, a fill factor of 0.70 and an efficiency of 9.0%, respectively. (c) 2006 Elsevier B.V. All rights reserved.

Photovoltaic effect of tin disulfide with nanocrystalline/amorphous blended phases

Tin disulfide (SnS2) nanocrystalline/amorphous blended phases were synthesized by mild chemical reaction. Both X-ray diffraction and transmission electron microscopy measurements demonstrate that the as-synthesized particles presented very small size, with a diameter of only a few nanometers. The photoluminescence (PL) spectrum suggests efficient splitting of photo-generated excitons in poly[2-methoxy-5-(3',7'-dimethyloctyloxy)-1,4-phenylenevinylene] (MDMO-PPV) and SnS2 hybrid films. Organic/inorganic hybrid solar cells comprising MDMO-PPV and SnS2 were prepared, giving photovoltage, photocurrent, fill factor and efficiency values of 0.702 V, 0.549 mA/cm(2), 0.385 and 0.148%, respectively, which suggests that this phase-blended inorganic semiconductor can also serve as a promising solar energy material. (C) 2009 Elsevier Ltd. All rights reserved.

band Structure calculations on orthorhombic bulk and nanocrystalline SrY2O4

The electronic structure of SrY2O4 is calculated by using a density functional method, and the exchange and correlation have been treated by using a the generalized gradient approximation (GGA) within the scheme due to Perdew, Burke, and Ernzerhof (PBE). SrY2O4 is predicted to be a direct-gap material because the top of the valence band and the bottom of the conduction band are along the same direction at G. The bond length and the bond covalency are also calculated by using a chemical bond method.