Materials Literature
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We predict by using molecular simulation that a novel class of carbonaceous materials called graphitic carbon inverse opal (GCIO) provides an excellent absorbent for hydrogen storage at room temperature. Simulation results based on well-calibrated force fields show that the gravimetric delivery amount of hydrogen at T…
In the title compound, the centrosymmetric polyanion consists of ten VO6 edge-sharing distorted octahedra. Each of the two Li+ cations is surrounded by six water molecules in a distorted octahedral arrangement. The V⋯V distances are in the range 3.078 (5)–3.101 (5) Å and the four types of V—O bond lengths are in the r…
Abstract Selenium nanowires, nanorods, and nanotubes have been successfully synthesized in aqueous solution by using cetyltrimethyl ammonium bromide (CTAB) as the soft template. The synthesis is performed by controlling CTAB concentration and temperature.
The in situ IR spectra of H 3 PW 12 O 40 · n H 2 O ( n = 0−6.2) in the range 4000−1100 cm -1 were measured, and that of H 3 PW 12 O 40 ·6H 2 O (i.e., [H 5 O 2 + ] 3 [PW 12 O 40 3- ]) with planar H 5 O 2 + was investigated. The spectrum showed a broad continuum below 3700 cm -1, with peaks at 3420, 2720, 2030, and 1640…
A cyclopentadienyl radical annelated with two homoadamantene frameworks 1 was synthesized and isolated in stable, crystalline form by the single-electron oxidation of the corresponding cyclopentadienyl anion. The X-ray structure clearly demonstrated distinct bond alternation in the cyclopentadienyl ring, suggesting th…
The members of the mechanistically diverse enolase superfamily share a bidomain structure formed from a (beta/alpha)7beta-barrel domain [a modified (beta/alpha)8- or TIM-barrel] and a capping domain formed from N- and C-terminal segments of the polypeptide. The active sites are located at the interface between the C-t…
In this paper, the humidity sensing properties of multi-walled carbon nanotubes modified with LiClO 4 are investigated. The new sensing material is characterized by FESEM, FTIR, Raman, ICP and XPS. For comparison, the humidity sensing characteristics of the four conventional materials MnWO 4 (hubnerite), BaTiO 3 (pero…
The magnetic properties of superparamagnetic particles are influenced by the supporting matrix. We have systematically studied the DC magnetic properties of loosely packed manganese–zinc ferrite (Mn 0.68 Zn 0.25 Fe 2.07 O 3 ) nanoparticles synthesized using a reverse micelle technique. The results have been compared w…
By applying a seed-mediated growth method, which was developed for chemical synthesis of gold nanorods in aqueous solution, we observed the changes in the crystal growth of gold nanoparticles on the surfaces of indium tin oxides (ITO) in the presence and absence of 3-mercaptopropyl-trimethoxysilane (MPTMS). While flat…
In this paper, we present the fabrication and experimental results of impedance-graded composites containing polyurethane, carbon nanotubes, carbon fibers, and microballoons. Polypyrrole (PPy) fabrics having different surface resistances were used along with these composites, and experiments were carried out to find t…
Our theoretical study of the third-order susceptibility (χ (3) ) for Ag dielectric composite reveals a critical role of saturation of optical transitions between discrete states of conduction electrons in metal quantum dots. The calculated size dependence of the χ (3) for Ag nanoparticles reproduces the published expe…
Solvothermal synthesis of La(OH) 3 sol and microwave radiation drying of La(OH) 3 nanorods were employed for the first time to synthesize La 2 O 3 nanorods with diameters around 10 nm and lengths up to 200 nm. The resulting products were characterized with XRD, TEM and HRTEM. Microwave radiation drying was found to be…
Measurements of anisotropy of femtosecond fluorescence after direct excitation of the S1(n,pi*) state of azobenzene in hexane and ethylene glycol solutions have been carried out to address the controversy about inversion and rotation in the mechanism of photoisomerization. The observed anisotropies in hexane decay to…
Hollow polyelectrolyte microcapsules made of poly(allylamine hydrochloride) and sodium poly(styrene sulfonate), templated on various cores, manganese and calcium carbonate particles or polystyrene latexes, were investigated. The polyelectrolyte multilayers respond to a change of pH, leading to a swelling of the capsul…
Nanocomposites of polyaniline (PANI)–titanium dioxide (PANI–TiO 2 ) are prepared from a colloidal sol of TiO 2 nanoparticles. The dc and ac conductivities of samples with different concentrations of PANI have been investigated as a function of frequency and temperature. The dc conductivity follows three-dimensional va…
Membrane transport plays a leading role in a wide spectrum of cellular and subcellular pathways, including multidrug resistance (MDR), cellular signaling, and cell-cell communication. Pseudomonas aeruginosa is renowned for its intriguing membrane transport mechanisms, such as the interplay of membrane permeability and…
We calculated the free energy profiles of water and three metal ions (magnesium, calcium, and strontium) adsorbing on the [1014] calcite surface in aqueous solution. The approach uses molecular dynamics with parametrized equations to describe the interatomic forces. The potential model is able to reproduce the interac…
The mechanism of surfactant-assisted dispersion of single-walled carbon nanotubes in water is studied by small-angle neutron scattering. The previously hypothesized formation of cylindrical micelles with the nanotubes forming the core of cylinders is inconsistent with the data presented. The scattering data favor a ra…
Molecular simulations are performed to study the self-assembly of particles with discrete, attractive interaction sites - "patches" - at prescribed locations on the particle surface. Chains, sheets, rings, icosahedra, square pyramids, tetrahedra, and twisted and staircase structures are obtained through suitable desig…
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