Materials Literature
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The spectral weight of states induced in the Mott gap via hole doping in the two-dimensional Hubbard model is studied within cluster dynamical mean-field theory combined with finite-temperature exact diagonalization. If the cutoff energy is chosen to lie just below the upper Hubbard band, the integrated weight per spi…
In the title salt, C(8)H(14)N(2) (2+)·2Br(-), the cation has a crystallographically imposed centre of symmetry. The compound is isostructural with the chloride analogue. In the crystal structure, the cations and anions are connected via N-H⋯Br hydrogen bonds, forming layers parallel to the bc plane.
The problem of cleaning the inner surfaces of tubular components has been one of the main tasks in various investigations and also in industry. The physical and chemical properties of the surfaces ...
Co2FeSi/GaAs(1 1 1)B hybrid structures are grown by molecular-beam epitaxy and characterized by transmission electron microscopy (TEM) and x-ray diffraction. The lattice matched Co2FeSi films grow in a three-dimensional island growth mode at substrate temperatures T S between T S = 100 and 425 °C. The structures have…
Plasma conditions for microcrystalline silicon deposition generally require a high flux of atomic hydrogen, relative to SiHα=0→3 radicals, on the growing film. The necessary dominant partial pressure of hydrogen in the plasma is conventionally obtained by hydrogen dilution of silane in the inlet flow. However, a hydro…
What we believe to be a new rigorous theoretical approach to the refraction of light at the interface of two-dimensional photonic crystals is developed. The proposed method is based on the Dirichlet-to-Neumann (DtN) approach which consists of computing exactly the DtN operators associated with each half-space on both…
Indirect nuclear spin-spin (J) couplings between (31)P, (27)Al, and (17)O are computed for Cl(3)POAlCl(3), Ph(3)PO, Ph(3)PAlCl(3), Al(H(2)O)(6)(3+), an aluminophosphate model system, and grossite model systems, using the B3LYP hybrid functional and the pcJ-n and aug-pcJ-n basis sets. The results provide computational…
Data on the direction and speed of liquid metal flows in the pool in consumable electrode arc welding (surfacing) are scarce and contradicting and relate mainly to the process without the effect of...
Abstract The contact‐point framework, which replaces the picture of continuous contact between the reactants by contact at a finite number of points, has been proposed as a rational one for treating reactions among particulate solids. However, available models suffer from various drawbacks, the main one being that the…
The authors fabricated organic Schottky diode using ink-jet print, where 6,13-bis(triisopropyl-silylethynyl) pentacene (TIPS-pentacene) was used as an active layer. As for a reference diode, they also fabricated pentacene Schottky diodes on the polyethersulfone substrate by evaporating pentacene as an active layer. Al…
Abstract A strategy for the systematic design of polymeric superlattices with tailor‐made mini‐bandgaps and carrier mini‐effective masses is described and computationally implemented by means of an envelope crystalline‐orbital method, which is a straightforward adaptation for molecules of the envelope‐function approxi…
Copolymers of 4-cinnamoyl phenyl methacrylate (4-CPMA) and n-butyl methacrylate (BMA) were prepared in a methyl ethyl ketone (MEK) solution with benzoyl peroxide (BPO) as an initiator at 70°C. They were characterized with UV, IR, 1H-NMR, 13C-NMR, TGA, DSC and gel permeation chromatography. Copolymers were prepared by…
Abstract The interaction between a weak external shock wave and a thin elastic cylindrical shell filled with and submerged into fluids with different properties is considered. The interest in investigating such a system is largely driven by the need for an accurate assessment of the performance of a number of industri…
Stimulating new studies using Fenton's reagent to selectively dissolve asperities and hence knock out catalytic sites on the surface of gold, may present unknown fundamental and applied opportunities; for example, modification of the surfaces of micro- and nanoparticles of gold and other metals to enhance catalytic ac…
Abstract Cadmium sulfide (CdS), indium sulfide (In2S3) and zinc sulfide (ZnS) thin films have been deposited by chemical bath deposition (CBD) for buffer layer applications in Cu–chalcopyrite‐based thin film solar cells. Films were characterized by scanning electron microscopy (SEM), UV–Vis transmission, X‐ray photoel…
Axial ligands play an important role in the stabilization, functionality, and synthesis of many planar organometallic complexes. Axial ligands are often weakly bound and can easily be activated in catalytic reactions. Thermal activation and following dissociation processes have to be considered whenever sublimation pr…
Abstract High‐level ab initio methods are used to analyze the electronic structure and vibrational spectra of the anthranilic acid or ortho‐aminobenzoic acid (o‐Abz), both in gas phase and aqueous solution. The geometries of the stationary points for the two lowest energy conformations (I and II) of o‐Abz are optimize…
Abstract Porous poly(vinylidene fluoride) (PVDF) membranes for dehumidification were prepared from a PVDF/dimethylformamide/water system by phase inversion with poly(ethylene glycol) (PEG) as an additive at various concentrations (1.2, 1.8, and 2.4%) and with various molecular weights (1000, 2000, and 6000). The surfa…
In the present study, the efficiency of a broad-spectrum pulsed ultraviolet (UV)-light for the inactivation of Listeria monocytogenes Scott A, L. monocytogenes CNL 895807, and Pseudomonas fluorescens MF37 populations as agar seeded or suspended cells was investigated. The bacterial populations were treated by pulsed U…
Abstract Interaction of the heavy analog of the cyclobutadiene dianion derivative [(t‐Bu2MeSi)4Si3Ge]2−·2K+ with the complexing reagent, [2.2.2]cryptand, results in the formation of the first heteronuclear cubane dianion derivative [(t‐Bu2MeSi)6Si6Ge2]2−·2K+, in which both negative charges are exclusively localized at…