Materials Literature
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A novel mesoporous solid acid catalyst named UDCaT-4 was synthesized by incorporating superacidic centers of persulfated alumina and zirconia into highly ordered and well-defined hexagonal mesoporous silica. The catalyst is well characterized, and its properties are compared with those of bulk persulfated alumina and…
We use the density functional theory and x-ray and neutron diffraction to investigate the crystal structures and reaction mechanisms of intermediate phases likely to be involved in decomposition of the potential hydrogen storage material LiAlH(4). First, we explore the decomposition mechanism of monoclinic LiAlH(4) in…
Abstract Polypropylene/layered silicate nanocomposites were prepared from base polymer (10 MFI) and octadecylamine modified montmorillonite (1.30P nanomer), melt compounded with and without compatibilizer, i.e., maleic anhydride grafted polypropylene (Epolene‐G3015). Physico‐mechanical properties of the virgin PP and…
In this work we present a systematic density functional theory study of the electronic properties of single-walled carbon nanotubes (SWNT) with diameters ranging from 3 to 5 A. In this work meta-generalized-gradient approximation, hybrid, and screened exchange hybrid functionals are utilized to compute energy band gap…
The resistance of natural fiber-filled high-density polyethylene composite specimens to ultraviolet- (UV) and moisture-induced degradation was evaluated by measuring changes to flexural properties. High-density polyethylene (HDPE) served as the polymer matrix for four formulations: two formulations without fiber fille…
The dynamics of phase separation of three-dimensional fluids containing nanospheres, which interact preferentially with one of the two fluids, is studied by means of large-scale dissipative particle dynamics simulations. We systematically investigated the effect of volume fraction, radius, and mass of the nanoparticle…
The thermal stability of gold nanoparticles (2.5−4 nm diameter) on fully stoichiometric TiO 2 (110) rutile substrates in an O 2 atmosphere and in air at up to ambient pressure, and for comparison under ultrahigh-vacuum (UHV) conditions, was investigated by atomic force microscopy (AFM) and X-ray photoelectron spectros…
Abstract Poly(ethylene terephthalate) (PET) containing epoxy‐functionalized polyhedral oligomeric silsesquioxane (POSS) was prepared by melt‐mixing and in situ polymerization methods. The melt‐mixed composite showed phase separation while the in situ polymerized composite did not, based on SEM characterization. During…
Abstract Composites of inherently conductive polypyrrole (PPy) within highly hydrophilic poly(2‐hydroxyethyl methacrylate)‐based hydrogels (p(HEMA)) have been fabricated and their electrochemical properties investigated. The electrochemical characteristics observed by cyclic voltammetry suggest less facile reduction o…
In carbon nanotubes and nanofilaments, the surface properties play a fundamental role for any use or application. It is therefore necessary to know and to control their surface characteristics, which are dependent on the fabrication process and surface treatments. In this work, two selected series of multiwalled nanot…
Abstract Lignocellulosic composites are diversifying their applications into various fields as they can meet the requirements of the respective applications by changing the matrix, fiber resource and processing ingredients. In this research work we explored the potential of extruded rice‐husk‐filled high density polye…
Real-time synchrotron ultrasmall-angle X-ray scattering measurements were performed during the tensile deformation of crystalline phase I poly(1-butene) (P1B). For comparison, high-density polyethylene (HDPE) was also studied. During tensile deformation, the main contribution to the scattering intensity is due to plat…
We report the use of a variety of polyelectrolyte multilayers (PEMs) as selective skins in composite membranes for nanofiltration (NF) and diffusion dialysis. Deposition of PEMs occurs through simple alternating adsorption of polycations and polyanions, and separations can be optimized by varying the constituent polye…
Abstract The elegant approach of in situ deposition technique was used for the synthesis of nano CaCO 3 . the nanosize of particles was confirmed by the X‐ray diffraction (XRD) technique. Differential scanning calorimetry (DSC) was used for determination of the enthalpy. The nano CaCO 3 polypropylene (PP) composites w…
The possibility of a substantial reduction of weight and size of electrical generators is the main incentive behind the effort to develop superconducting armature windings based on coated conductors in the form of wide tapes with large aspect ratio. The main obstacle to the application of coated superconductors in sta…
This work predicts the extraordinary hyperpolarizability of inorganic clusters: two water trimer anions. The first hyperpolarizabilities of (H2O-)(3) are considerable, beta(0)=1.715 x 10(7) a.u. for configuration A and beta(0)=1.129 x 10(7) a.u. for configuration B at MP2/d-aug-cc-pVDZ+x level. The first hyperpolariza…
Abstract The crystal transformation and thermomechanical properties of melt‐intercalated poly(vinylidene fluoride) (PVDF)/clay nanocomposites are reported in this study. Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were used to study the thermal properties of PVDF and its nanocomposites…
A cooperative spin transition behaviour with a wide hysteresis loop (30 K) around 240 K has been observed, for the first time, in a salt based on the redox active [Ni(dmit)(2)](-), anion and the [Fe(sal(2)-trien)](+) spin crossover cation.
A molecule-based binary half-adder with optical inputs and outputs has been demonstrated. The half-adder consists of two photochromic organic molecules in solution and a third-harmonic-generating crystal. One substance acts as an AND Boolean logic gate and the other as an XOR gate. Inputs are laser pulses at 1064 or 5…
We report on design, fabrication, and magnetooptical studies of a III-V/II-VI hybrid structure containing a GaAs/AlGaAs/ZnSe/ZnCdMnSe double quantum well (QW). The structure design allows one to tune the QW levels into the resonance, thus facilitating penetration of the electron wave function from the diluted magnetic…