Materials Literature
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Density functional theory (DFT) electronic structure calculations were carried out to predict the triplet Jahn–Teller distorted structures and energetics for zinc complexes of porphyrin (ZnP), tetraazaporphyrin, tetrabenzoporphyrin, and phthalocyanine. The D4h square planar structures in the ground state are found to…
The dimerization, unimolecular methane ejection, and bimolecular methane metathesis reactions of L 2 MCH 3 species where L = H, Cl, Cp, and Cp* and M = Sc, Y, and Lu are modeled at the density functional level (B3LYP) using a relativistic effective core potential basis set. Results for cases with H or Cl ligands are i…
The microstructure of sputter-deposited Cu films is shown to be unstable at room temperature (RT). The average grain size increases significantly during RT storage for a couple of hours after deposition. This RT grain growth is shown to be very dependent on the deposition parameters (substrate temperature and sputter…
We use ab initio plane-wave density functional theory (PW-DFT) to investigate, for the first time, prospective solid base catalytic pathways within anionic clays. MgAl-layered double hydroxides (LDHs) intercalated with tert -butoxide anions are known to be excellent solid base catalysts for a wide range of reactions.…
Control of self-assembled nanostructures is a promising technique for nanotechnology. We have examined as to whether nanostructures could be controlled by the size of the central metal ion. Lanthanides are a natural choice for such a study as the size of their trivalent ions changes with atomic number gradually. For t…
By employing a nanosecond pump-probe method, biexciton formation process was investigated in ZnO/Zn1−xMgxO (x=0.26) multiple quantum wells (MQWs) grown on ScAlMgO4 substrate by laser molecular-beam epitaxy. Bleaching of absorption due to the saturation of excitonic states, and induced absorption related to the exciton…
Marrow-derived osteoblasts were cultured on poly(propylene fumarate-co-ethylene glycol) (P(PF-co-EG)) based hydrogels modified in bulk with a covalently linked RGDS model peptide. A poly(ethylene glycol) spacer arm was utilized to covalently link the peptide to the hydrogel. Three P(PF-co-EG) block copolymers were syn…
We present a new approach to the problem of finding the minimum-energy structures resulting from the self-assembly of amphiphile nanoparticles possessing a hydrophobic “tail” and a hydrophilic “head”. When the repulsive interactions between the “heads” are of hard-sphere type, the approach is rigorous and is reduced t…
Four lanthanide complexes of 1-hydroxy-2-pyridinone (HOPO) have been synthesised from aqueous solution at pH ≈ 7 and their structures and luminescent properties have been established. This ligand coordinates to lanthanide(III) ions as an anionic bidentate chelate (1-oxy-2-pyridinonate, OPO−) and crystallographic analy…
Abstract A method based on Fourier transform infrared (FTIR) transmission spectra is proposed to measure the crystallinity of isotactic polypropylene (iPP) samples. The method parameters were tuned as compared with wide‐angle X‐ray scattering measurements performed on test samples characterized by different crystallin…
The template method is a general approach for preparing nanomaterials, in particular nanowires and nanotubes. The ability to control the dimensions of the nanowires and tubes obtained is an important feature of the template method. Diameter can be controlled at will by varying the diameter of the pores in the template…
In this work, NiO thin film was prepared by the sol–gel technique and analysed by thermogravimetry, x-ray diffractometry and x-ray photoelectron spectroscopy. The electrochromic characteristics were studied by ultraviolet spectroscopy. NiO thin film shows electrochromic characteristics. Its colour changes from transpa…
The possibility of controlling transport properties of colossal magnetoresistance manganite films using substrate-induced strain has attracted great interest. We have investigated transport properties of La0.9Ca0.1MnO3, La0.92Ba0.08MnO3, La0.8Ba0.2MnO3, and LaMnO3 films. When the films were post-annealed at proper con…
The physics underlying the dynamics of molecules near their glass temperature, Tg, comprises one of the major unsolved problems in condensed matter. Of particular interest are the striking changes in relaxation properties observed at temperatures ∼1.2 times higher than Tg. Herein, we describe experiments in which thes…
Yttrium orthovanadate (YVO4) crystals have been prepared hydrothermally in both strongly acidic and basic media. The effects of vanadium source, acid, addition of sodium hydroxide, chelating reagent, and even solvent on the crystalline size and shape were explored using X-ray powder diffraction (XRD), scanning electro…
Carbon nanotubes are filled with copper by means of chemical vapor deposition. Control of the density of copper in the plasma is crucial and is accomplished by adjusting the length of the copper electrodes that are exposed to the tungsten heating filament. Both simple and branched Cu-filled nanotubes were grown. Most…
We show the enhancement of evanescent waves by a realizable negative-refractive-index (NRI) medium consisting of a periodic 2-D L,C loaded transmission-line (TL) network. This network is referred to as a dual TL structure. Growing evanescent waves within the dual TL structure are predicted analytically and demonstrate…
Abstract For improved mechanical and water‐swelling properties of chitosan films, a series of transparent films were prepared with dialdehyde starch as a crosslinking agent. Fourier transform infrared and X‐ray analysis results demonstrated that the formation of Schiff's base disturbed the crystallization of chitosan.…
Highly (100) textured graded manganese (Mn) doped Ba0.5Sr0.5TiO3 [BST (50/50)] thin films were deposited on lanthanum aluminate substrates using sol-gel technique. We have demonstrated that the graded acceptor doping is a promising technique to reduce the temperature coefficient of capacitance (TCC), loss tangent, and…
A new approach for the morphological control of bridged silsesquioxanes has been achieved by the hydrolysis of silylated organic molecules bearing urea groups. The urea groups are responsible for the auto-association of the molecules through intermolecular hydrogen-bonding interactions. The self-assembly leads to supr…