Materials Literature
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In this work we report on the pressure dependence of the refractive index of indium selenide (InSe) for polarization perpendicular to the c -axis ( E ⊥ c ). The refractive index dispersion n ⊥ (ω) of InSe has been measured between 0.77 and 1.5 eV for hydrostatic pressures up to 8 GPa and interpreted through a single o…
Upon increasing the temperature, a lyotropic mixture consisting of sodium dodecyl sulfate (SDS), butanol, toluene, and brine solution, with oil and water in equal volumes (midrange mixture), has been shown to order spontaneously into two kinds of cubic crystalline arrays exhibiting Fd 3 m and Pm 3 n symmetries. Cubic…
The structural and electronic properties of liquid As 2 Se 3 mixtures are studied by ab initio molecular dynamics simulations. We detail the temperature dependence of the atomic structure by calculating the correlation functions in a real space as well as in a reciprocal space. It is found that the network structure c…
First-principles molecular dynamics simulations of liquid tellurium at 1123 K and at continuously varied densities are presented. The question of why recent studies within density functional theory overestimated the number of nearest neighbours is analysed in terms of structure factors and contributions of different n…
Water addition to molecular single, double and triple M-O-M bridges (M = Sc, Ti, V, Cr, and Mn) were considered, and the stabilities toward stepwise hydrolysis of the oxygen bridges were studied by means of quantum chemistry. The M-O bond distances for the studied systems were compared to experiment for demonstration…
EXAFS, conductivity and Hall coefficient measurements have been carried out for liquid As-Te mixtures. EXAFS analysis reveals the presence of chemical disorder marked by the existence of homopolar As-As and Te-Te pairs. At high temperature around 500 °C the network structure composed of threefold coordinated As atoms…
The effects of various organic monolayers on the surface of porous silicon on the electrochemiluminescence (ECL, also referred to as electroluminescence in the literature) characteristics were investigated. Surfaces were terminated with alkyne, alkene, and alkyl functionalities through cathodic electrografting (CEG),…
The results of ab initio calculations on a series of [MH] n polyhedral cages (M = C, Si, Ge, and Sn; n = 4, 6, 8, 10, 12, 16, 20, and 24) are presented. The energies are partitioned into contributions from each ring to obtain an estimate of how strain changes as a function of ring size for each of these elements. Resu…
The phase transformations under elevated pressure have been followed in situ by X-ray and Raman spectroscopy for ultrahigh-molecular-weight polyethylene (UHMW−PE) reactor powder. Using the in situ X-ray as a reference for the Raman work, it has been shown that Raman spectroscopy is a convenient method to follow phase…
The optical absorption and photoluminescence (PL) of ZnO loaded in mesoporous silica have been investigated. These ZnO/SiO 2 composites are synthesized by impregnation of mesoporous silica with an aqueous solution of zinc acetate, followed by firing at 550 °C. A significant blue shift of the absorption edge compared t…
Azobenzenes having different positional substituents were dissolved in cholesteric liquid crystals to make cholesteric pitches tunable by photoisomerization. E -to- Z photoisomerization of 3,3‘-disubstituted or 2,2‘-dimethyl-3,3‘-disubstituted azobenzenes resulted in a moderate change or even no change in the maximum…
Ab initio calculations based on the density-functional pseudopotential approach have been used to study the electronic structure and chemical bonding in layered machinable Ti 3 SiC 2 ceramic. The calculations reveal that all three types of bonding - metallic, covalent and ionic - contribute to the bonding in Ti 3 SiC…
Hydrothermal reactions of the V2O5/2,2':6':2"-terpyridine/ZnO/H2O system under a variety of conditions yielded the organic-inorganic hybrid materials [V2O4(terpy)2]3[V10O28].2H2O (VOXI-10), [VO2(terpy)][V4O10] (VOXI-11), and [V9O22(terpy)3] (VOXI-12). The structure of VOXI-10 consists of discrete binuclear cations [V2…
The brucite-like Ca 2+ /Al 3+ layered double hydroxide (LDH), Ca 2 Al(OH) 6 ·NO 3 ·2H 2 O, was synthesized using the coprecipitation method. The dicarboxylate anion 1,4-benzenedicarboxylate can be selectively intercalated into the layered double hydroxide Ca 2 Al(OH) 6 ·NO 3 ·2H 2 O from an aqueous solution containing…
Ion implantation followed by high temperature annealing can be used to synthesize group IV semiconducting nanoparticles in SiO2. The density and the size distribution of these nanocrystals obviously depend on the implantation and annealing conditions. While their size can be measured by “classical” transmission electr…
The heptadentate ligand 2,2¢,2¢¢-tris(salicylideneimino)triethylamine (H3trensal) has been complexed with the lanthanides Sm III , Eu III , Tb III and Er III . The resulting [Ln(trensal)] complexes are isomorphous. We demonstrate that the method of preparation of these complexes is important in ensuring structural hom…
In this letter, we propose a simple configuration that is capable of rotating a linear polarization state of light by a certain angle for a wide range of wavelengths. The device consists of three liquid-crystal cells: two homogeneous cells and one twisted nematic (TN) cell. It is well known that a thick TN cell can ro…
Building on the insights gained from electronic-structure calculations and from experience obtained with an earlier atomic-level method, we developed an atomic-level simulation approach based on the traditional Buckingham potential with shell model which correctly reproduces the ferroelectric phase behavior and dielec…
Zinc blende MgS has been grown on GaAs by molecular beam epitaxy using a novel method where the sources were Mg and ZnS. A reaction at the surface results in the formation of MgS layers with a Zn content estimated by secondary ion mass spectrometry and Auger spectroscopy to be between 0.5% and 2%. Double crystal x-ray…
Our investigations reveal that the bonding of the transition-metal atoms on a single-wall carbon nanotube (SWCN) depends on the detailed contact conditions. On the basis of our results, we suggest that the early 3-d elements (Sc, Ti, and V) can be expected to be good candidates for making metal–SWCN contacts of low re…