Materials Literature
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We use first principles density functional theory combined with nonequilibrium Green's function technique to investigate the electronic and transport properties of metallic armchair and zigzag carbon nanotubes (CNTs) with different kinds of multivacancy defects. While the existence of a small band gap in pristine zigz…
Regarding Henry: Selective catalysis to the β-nitrostyrene or nitroalcohol products of the Henry reaction is demonstrated for substituted benzaldehyde reactants containing electron-donating and -withdrawing substituents, respectively, using secondary and tertiary amine-functionalized mesoporous catalysts. The effects…
This article reports the thermodynamics of Se(58)Ge(42-x)Pb(x) (9 < or = x < or = 20) glassy alloys determined from the heat of fusion and specific heat capacity measurements. A differential scanning calorimetry method has been employed for the determination of thermodynamic quantities such as entropy, enthalpy, and G…
Cover: The cover presents Raman spectra, polarized optical microscopy images, and Fourier transform infrared spectroscopy results of pure poly(lactide) (PLA) and its composite with functionalized multiwalled carbon nanotubes (f-MWCNTs). The inherent properties of PLA are concurrently improved by the incorporation of a…
TEMPO-bound metalladithiolenes, [M(tempodt)2]n− (M=Au3+, n=1; M=Ni2+, n=2), show a SOMO–HOMO converted unique electronic structure. The one-electron oxidation of [M(tempodt)2]n− produces a π radical on the π-conjugated skeleton, which causes an intramolecular cyclization reaction (see picture).
Composites made of polypropylene (PP) and wheat straw fiber treated by alkalization, acetylation, and maleic anhydride polypropylene (MAPP) were prepared, and the dynamic mechanical, thermal, and rheological properties of the treated composites have been investigated. The PP composites reinforced with the treated whea…
This paper resolves questions in the literature regarding the autophilic effect (i.e., movement of surfactant past the advancing contact line-leading to an increase in drop radius beyond that due to the advance) and its importance to quasi-static sessile drop wetting. Various systems (SDS, HTAB, and MEGA 10 surfactant…
Recent advances in both theoretical and experimental studies on optimizing thermoelectric performance have proved to greatly benefit from nanostructure engineering. As a class of materials with the best thermoelectric properties near room temperature, V-VI alloy nanostructures, especially Bi(2)Te(3) and its alloy with…
The evolution of the boson peak with densification at medium densification rates (up to 2.3%) in silicate glasses was followed through heat capacity measurements and low frequency Raman scattering. It is shown that the decrease of the boson peak induced by densification does not conform to that expected from a continu…
The existence of a correlation between nucleation kinetics and dynamic fragility when the crystallization process takes place in the proximity of the glass transition temperature was reported. The crystallization rate first increased upon cooling below the equilibrium melting temperature, Tm, then reached a maximum, a…
We report on the linear and nonlinear optical response of metamaterials evoked by first- and second-order multipoles. The analytical ground on which our approach is based permits for new insights into the functionality of metamaterials. For the sake of clarity we focus here on a key geometry, namely, the split-ring re…
This paper presents the results of a study on the contamination characteristics of porcelain, glass and composite insulators in natural high altitude areas (1970 m). The test used the solid layer method, in which a contaminant solution consisting of sodium chloride, kaolin powder and water was used to coat the insulat…
Classical density functional theory (DFT) of inhomogeneous fluids is applied to an explicit solvent ‘semi-primitive’ model (SPM) of ionic solutions to investigate the influence of ionic solutes on the wetting behaviour of a solvent in contact with a neutral or charged planar substrate. The SPM is made up of three spec…
Abstract Toward complete artificial photosynthesis systems to generate hydrogen and oxygen using visible light and water, oxygen‐generating gel systems are designed and fabricated using the electrostatic interactions of ionic functional groups and steric effects of a polymer network. By using a graft polymer chain wit…
Abstract The inhibitive effect of polyacrylamide grafted with fenugreek mucilage, a natural grade polysaccharide, on the corrosion of mild steel in 0.5 M H 2 SO 4 has been investigated by weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy. An inhibition efficiency of 78% has been obta…
Powder neutron-diffraction measurements on both SmFeAsO and the fluorine-doped superconductor, ${\text{SmFeAsO}}_{0.85}{\text{F}}_{0.15}$, show that the Sm sublattice orders magnetically. In both cases we observe a simple layered antiferromagnetic arrangement of the $\ensuremath{\sim}0.5{\ensuremath{\mu}}_{B}$ Sm mome…
Abstract Non‐covalent interactions are increasingly used in the molecular self‐assembly of well‐defined structures. In this study, a series of pyridine‐containing polyurethanes (PUPys) were synthesized with diisocyanates and pyridine derivatives. Fourier transform infrared spectroscopy was employed to identify the vib…
We report on the electric-field- and H chemical-absorption-induced band manipulations of armchair ZnO nanoribbons using first-principles calculations. It is shown that the band gap of a semiconducting armchair nanoribbon can be reduced monotonically with increasing transverse field strength, demonstrating a giant Star…
Abstract This article reports a study on the spinnability of three different ester type thermoplastic polyurethanes (TPUs) with shore hardness 75A, 85A, 92A using the dry‐jet‐wet spinning method. The three grades have been analyzed by FTIR, GPC, and 1 H‐NMR to establish the difference among them. FTIR indicated that a…
In recent years, a number of routes to porous materials have been developed which do not involve the use of pre-formed templates or structure-directing agents. These routes are usually spontaneous, meaning they are thermodynamically downhill. Kinetic control, deriving from slow diffusion of certain species in the soli…