Materials Literature
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Ab-initio calculations have been performed to investigate systematically defect-impurity interaction in Tungsten and other bcc transition metals. It is found that the most stable configuration of C and N atoms is the octahedral interstitial site whereas O and H atoms are located in the tetrahedral configuration. For t…
This work demonstrates the synthesis of core-shell ZrO2/PAAEM/PS nanoparticles through a combination of sol-gel method and emulsifier-free emulsion polymerizaiton. By this method, the modified nanometer ZrO2cores were prepared by chemical modification at a molecular level of zirconium propoxide with monomer of acetoac…
We propose a metallic Fabry–Pérot cavity with a Au grating and a Au film acting as two reflectors to enhance the field and absorption in the active detector region, leading to better performance of quantum-dot-based photodetectors at a wavelength of 10 μm. One- and two-dimensional Au gratings are applied to achieve en…
Studies on magnetocaloric effect (change in magnetic entropy ΔS) and magnetotransport (difference in resistivity due to magnetic field Δρ) have been performed on polycrystalline GdRu2Si2. Due to the presence of several field-induced metamagnetic transitions and superzone energy gap effect below the antiferromagnetic t…
Nitrogen doping is identified to be a sufficient way to reduce the power consumption of Ge2Sb2Te5, a phase-change material for data storage. On the basis of ab initio molecular dynamics simulations, we show that the doped N in amorphous Ge2Sb2Te5 coexist as Ge(Sb, Te)N complex and N2, and high density of the film prod…
The role of solvent effects on the thermodynamics and kinetics of the coralyne self-aggregation process has been investigated in ethanol-water mixtures of different compositions. The changes in the UV/visible spectra of coralyne and FAB/LSIMS mass spectrometry agreed well with the formation of a dimer species. 1D and…
A perylenetetracarboxylic diimide (PDI) trimer (3) linked by a triazine ring has been prepared. The UV-vis absorption spectra together with the (1)H NMR spectra revealed that two of the three PDI subunits in the trimer presents a face-to-face stacked configuration while the third one appended acts as a monomer. There…
The optical properties of luminescent Ti-catalyzed Si nanowires are analyzed using continuous-wave and time-resolved photoluminescence (PL) spectroscopy at excitation intensities $({I}_{\text{ex}})$ above $1\text{ }\text{W}/{\text{cm}}^{2}$. At these pump intensities, the PL intensity tends to saturate and the PL deca…
This paper presents studies of the optical properties of MgxZn1−xO nanocrystals below and at the phase transition range where the solubility is limited. For the nanocrystals of Mg composition 0%–30%, the samples were found to consist of the wurtzite structure and exhibited band edge absorption as well as photoluminesc…
We present a novel computational procedure, general, automated, and robust, for the analysis of local and global properties of the electron localization function (ELF) in crystalline solids. Our algorithm successfully faces the two main shortcomings of the ELF analysis in crystals: (i) the automated identification and…
We report on the carrier doping effect (achieved through La doping) on the electronic structure, crystalline structure, grain morphology, and electric and magnetic properties of the ferromagnetic perovskite Sr2FeMoO6. X-ray diffraction on Sr2−xLaxFeMoO6 (x=0, 0.25, 0.5, and 1) ceramic powders shows that all compounds…
A technique to create nickel-related single color centers in individual nanodiamonds is demonstrated. The method involves implantation of nickel ions into a substrate onto which the diamond nanocrystals are subsequently grown by chemical vapor deposition. The nickel is transported during the growth from the implanted…
Porous nickel oxide (NiO) and zinc oxide (ZnO) submicro- and nanofibers were synthesized by impregnating electrospun polyacrylonitrile (PAN) fiber templates with corresponding metal nitrate aqueous solutions and subsequent calcination. The diameter of the NiO and ZnO fibers was closely related to that of the template…
We present a demonstration of the unambiguous determination of two-photon absorption (2PA) and three-photon absorption (3PA) in semiconductor quantum dots in the vicinity of E0/2, where E0 denotes the peak position of the lowest exciton energy. In the spectral region where photon energies ℏω≥E0/2, the 2PA cross sectio…
Recent in vitro studies with electrospun nanofibers have used a range of techniques. The in vitro system presented in this article describes electrospun fibers deposited onto chemically reactive substrates to provide fiber adherence and surface chemistry control of the substrate. Fibers of poly(epsilon-caprolactone) (…
We present molecular dynamics simulations of a simple model for polymer melts with intramolecular barriers. We investigate structural relaxation as a function of the barrier strength. Dynamic correlators can be consistently analyzed within the framework of the mode coupling theory of the glass transition. Control para…
It has been known for many years that p-doped and n-doped regions in semiconductors reveal different contrasts (p-doped normally brighter than n-doped) when imaged in a scanning electron microscope (SEM). This effect could be very useful to the semiconductor industry to determine dopant concentrations at nanoscale dim…
Abstract The effects of composition and interface modification on the tensile properties and the impact resistance of different woodflour/polypropylene composites (WPC) were studied. The woodflour was treated with vinyltrimethoxy silane as a coupling agent, and its effect on the WPC properties was examined. In additio…
The use of ceramic composite materials in aerospace applications requires the development of oxidization protection coatings which can withstand very high temperatures. HfO2 is a promising material as a high temperature oxidization protective layer. HfO2 coatings have been deposited by radiation frequency magnetron sp…
Abstract It′s a fine line : Methyltrioxorhenium(VII) (MTO) readily forms 1:1 adducts with several N‐(salicylidene)aniline derived Schiff bases. Steric and electronic effects of the ligands play a major role when it comes to stability and catalytic activity. Good donors on the Schiff base ligands, in general, lead to s…