Synthesis and characterization of CdS nanoparticles in the presence of oleic acid as solvent and stabilizer

Oleic acid (OA)-capped CdS nanoparticles (NPs) have been successfully synthesized via the direct reaction of Cd(CH₂COO)₂·2H₂O with S powder in OA solvent at 230 °C under nitrogen flow, which was a kind of clean and air-stable solvent. The morphologies and structures of the as-synthesized CdS NPs are examined by transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), X-ray diffractometer (XRD), and Fourier transform infrared (FTIR) spectroscopy, and the typical Ostwald ripening growth mechanism is concluded. Moreover, the collected ultraviolet–visible (UV–vis) absorption spectroscopy and photoluminescence (PL) spectroscopy demonstrate good optical properties of CdS NPs.     

Impact of film thickness on threshold voltage of polysilicon TFTs

The threshold voltage is a key parameter in the silicon MOSFETS design and operation. In this paper, we study the factors that contribute to the changes of threshold voltage of thin-film LPCVD polysilicon transistors when varying the thickness of the active layer.The results show that the threshold voltage depends strongly on the film thickness. For high thicknesses, the threshold voltage is shown to be determined by the trapped holes at grain boundaries. The variation of this parameter with film thickness can be attributed to inter-granular trap states density variation in the film.For low thicknesses, a simple electrostatic model of the study structure, associated with a numerical method of solving 2D-Poisson's equations, shows that the changes of threshold voltage of polysilicon TFT depends on grain-boundary properties and charge-coupling between the front and back gates. Based on this consideration, the usual threshold voltage expression is modified. The results so obtained are compared with the available experimental data, which show a satisfactory match thus justifying the validity of the proposed relation.     

Effect of heat treatment on ZrO2-embedded electrospun carbon fibers used for efficient electromagnetic interference shielding

ZrO₂-embedded carbon fibers were prepared for use as an electromagnetic interference (EMI) shielding material by electrospinning and heat treatment methods. Structural changes were observed in the ZrO₂ and in the carbon structures by XRD and Raman spectroscopy, respectively. During heat treatment, XRD analysis results revealed a transition from a monoclinic structure to a tetragonal structure in ZrO₂ and a graphitization in the structural formation of carbon fibers was observed by Raman spectroscopy. It was observed that these structural changes in the ZrO₂ and the carbon fibers improved the real and imaginary permittivities by a factor of more than 3.5. The EMI shielding efficiency (SE) improved along with the permittivity with higher treatment temperatures and greater amounts of embedded ZrO₂; the highest average EMI SE achieved was 31.79 dB in 800-8500 MHz. The heat treatment played an important role in the improvements in the permittivity and in the EMI SE because of the heat-induced structural changes of the ZrO₂-embedded electrospun carbon fibers. We suggest that the EMI shielding of the fibers is primarily due to the absorption of electromagnetic waves, which prevents secondary EMI by reflection of electromagnetic waves.     

Cation disorder in NaW2O6+δ·nH2−zO post-ion exchange with K, Rb, Sr, and Cs

The structure of the defect pyrochlore NaW₂O_6+δ·nH_2−zO after ion exchange with K, Rb, Sr or Cs for Na has been investigated using thermal analysis, solid-state nuclear magnetic resonance, laboratory X-ray and neutron diffraction methods. Neutron diffraction studies show that both the A-type cations (Na⁺, K⁺, Rb⁺, and/or Cs⁺) and the water molecules reside within the channels that form in the 111 direction of the W₂O₆ framework and that these strongly interact. The analytical results suggest that the water and A-type cations compete for space in the tunnels within the W₂O₆ pyrochlore framework, with the total number of water molecules and cations being approximately constant in the six samples investigated. The interplay between the cations and water explains the non-linear dependence of the a lattice parameter on the choice of cation. It appears that the ion-exchange capacity of the material will be controlled by the amount of water initially present in the sample.     

Influence of deposition pressure on structural, optical and electrical properties of nc-Si:H films deposited by HW-CVD

Hydrogenated nanocrystalline silicon (nc-Si:H) thin films were deposited using HW-CVD technique at various deposition pressures. Characterisation of these films from Raman spectroscopy revealed that nc-Si:H thin films consist of a mixture of two phases, crystalline phase and amorphous phase containing small Si crystals embedded therein. We observed increase in crystallinity in the films with increase in deposition pressure whereas the size of Si nanocrystals was found ∼2 nm over the entire range of deposition pressure studied. The FTIR spectroscopic analysis showed that with increasing deposition pressure the predominant hydrogen bonding in the films shifts from, Si-H to Si-H₂ and (Si-H₂)_n complexes and the hydrogen content in the films was found in the range 6.2-9.3 at% over the entire range of deposition pressure studied. The photo and dark conductivities results also indicate that the films deposited with increasing deposition pressure get structurally modified. It has been found that the optical energy gap range was between 1.72 and 2.1 eV with static refractive index between 2.85 and 3.24. From the present study it has been concluded that the deposition pressure is a key process parameter to induce the crystallinity in the Si:H thin films using HW-CVD.     

The ESR study of single crystal spinel ZnCr2Se4 diluted with Sb and V

The single crystal of Sb³⁺ and V³⁺ doped zinc chromium selenide spinel ZnCr₂Se₄ were prepared by a chemical transport method and characterized by ESR spectroscopy in order to examine the effect of nonmagnetic antimony and magnetic vanadium on properties of the system. For antimony admixtures the Neel temperature is very similar to that of the parent spinel ZnCr₂Se₄ (22 K). However, upon incorporating vanadium ions, the T_N temperature decreases down to 17.5 K, determined for the maximum vanadium content (x=0.06). The temperature dependence of the ESR linewidth over paramagnetic region is interpreted by an occurrence of spin-phonon interaction. The strong broadening linewidth together with its strong temperature dependence for vanadium doped ZnCr₂Se₄ is explained by the complex paramagnetic relaxation model.     

Structural transition of Ti3SiC2 under high hydrostatic pressure: A first-principles study

We theoretically studied the phase transformation, electronic and elastic properties of Ti₃SiC₂ ceramic by using the pseudopotential plane-wave method within the density functional theory. Our results demonstrate that there exists a structural phase transition from α‐Ti₃SiC₂ to β‐Ti₃SiC₂ under pressure up to 384 GPa, and α‐Ti₃SiC₂ is the most stable phase at zero pressure. The calculated electronic band structure and density of states reveal the metallic behavior for the polymorphs of Ti₃SiC₂. The mechanical stability of α‐Ti₃SiC₂ at zero pressure is confirmed by the elastic constants, and is analyzed in terms of electronic level. By analyzing the ratio between bulk and shear moduli, we conclude that α‐Ti₃SiC₂ is brittle in nature.     

CO adsorption on oxygen-modified molybdenum surfaces

Structures of carbon monoxide layers on the oxygen-modified Mo(1 1 0) and Mo(1 1 2) surfaces have been investigated by means of density-functional (DFT) calculations. It is found that CO molecules adsorb at hollow sites on the O/Mo(1 1 0) surface and nearly atop Mo atoms on the O/Mo(1 1 2) surface. The favorable positions for adsorption are shown to be near protrusions of electron density above the Mo surface atoms. The presence of oxygen on the molybdenum surface significantly reduces the binding energy of the CO molecule with the substrate; on the oxygen-saturated Mo(1 1 0) surface, the adsorption of CO is completely blocked. The calculated local densities of states (LDOS) demonstrate that the O 2s peak for O adsorbed on Mo(1 1 0) surface is at −19 eV (with respect to the Fermi level), while for the oxygen atom of an adsorbed CO molecule the related 3σ molecular orbital gives rise to a peak at −23 eV. This difference stems from the bonding of the O atom either with Mo surface for adsorbed O or with C atom in adsorbed CO, and therefore the position of the O 2s peak in photoemission spectra can serve as a convincing argument in favor of either the presence or absence of the CO dissociation on Mo surfaces.     

Characterization, sintering and dielectric properties of nanocrystalline zinc oxide prepared by a citric acid-based combustion route

Nanosized zinc oxide has been synthesized through a novel single step solution combustion route using citric acid as fuel. The X-ray diffraction (XRD) analysis revealed that the synthesized ZnO nanopowder has the pure wurtzite structure. The phase purity of the nanopowder has been confirmed using differential thermal analysis (DTA), thermogravimetric analysis (TGA) and Fourier transform infrared spectroscopy (FT-IR). The morphology and crystalline size of the as-prepared nanopowder characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed that the powder consisted of a mixture of nanoparticles and nanorods. The nanocrystalline ZnO could be sintered to ∼97% of the theoretical density at 1200 °C in 4 h. The dielectric constant (ε_r) and dielectric loss (ε_i) of sintered ZnO pellets at 5 MHz were 1.38 and 9×10⁻², respectively, at room temperature.     

Structural and vibrational properties of Ca2FeH6 and Sr2RuH6

The structural and vibrational properties of the isostructural compounds Ca₂FeH₆ and Sr₂RuH₆ are determined by periodic DFT calculations and compared with their previously published experimental crystal structures as well as new experimental vibrational data. The analysis of the vibrational data is extended to the whole series of alkaline-earth iron and ruthenium hydrides A₂TH₆ (A=Mg, Ca, Sr; T=Fe, Ru) in order to identify correlations between selected frequencies and the T-H bond length. The bulk moduli of Ca₂FeH₆ and Sr₂RuH₆ have also been determined within DFT. Their calculated values prove to compare well with the experimental values reported for Mg₂FeH₆ and several other compounds of this structure.