Materials Literature
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In this work, we perform first-principles calculations of the structural, electronic, vibrational and magnetic properties of a novel ${\rm C}_{48}{\rm N}_{12}$ azafullerene. Full geometrical optimization shows that ${\rm C}_{48}{\rm N}_{12}$ is characterized by several distinguishing features: only one nitrogen atom p…
We have studied the magnetic-field and concentration dependences of the magnetizations of the hole and Mn subsystems in diluted ferromagnetic semiconductor Ga_{1-x}Mn_xAs. A mean-field approximation to the hole-mediated interaction is used, in which the hole concentration p(x) is parametrized in terms of a fitting (of…
We study the structural, electronic, vibrational and magnetic properties of a novel ${\rm C}_{48}{\rm N}_{12}$ aza-fullerene using density functional theory and restricted Hartree-Fock theory. Optimized geometries and total energy of this fullerene have been calculated. We find that for ${\rm C}_{48}{\rm N}_{12}$ the…
Results of ab initio calculations using the relativistic Local Spin Density theory are presented for the magnetic moments of periodic 5d and 4d transition metal interfaces with bcc Fe(001). In this systematic study we calculated the layer-resolved spin and orbital magnetic moments over the entire series. For the Fe/W(…
We report in situ Atomic Force Microscopy experiments which reveal the presence of nanoscale damage cavities ahead of a stress-corrosion crack tip in glass. Their presence might explain the departure from linear elasticity observed in the vicinity of a crack tip in glass. Such a ductile fracture mechanism, widely obse…
Primary and secondary aliphatic alcohols are smoothly oxidised by air to the corresponding carbonyl derivatives with high selectivity using 1% Au on silica.
The systematic in the 4f n → 4f n −1 5d transition energy of divalent lanthanides in inorganic compounds has been studied. Energies were derived from excitation and optical absorption spectra gathered from the literature. Going through the lanthanide series from La 2+ to Yb 2+ , a characteristic variation is observed…
Voltammetric characterization of new types of electrochemical sensors, based on diamond paste, was performed for Fe(III). The construction of electrodes was done using monocrystalline diamond [natural diamond 1 µ, synthetic diamond 50 µ (synthetic‐1), and synthetic diamond 1 µ (synthetic‐2)] powder and paraffin oil. D…
Absorption spectral studies on lanthanides are described, dealing with 4f–4f transitions as structural probe in chemical and biochemical reactions, and compositional dependence of intensity parameters in order to understand the structure and nature of lanthanide bimolecular interaction. This review is basically addres…
The broadband dielectric spectroscopy (10−3–106 Hz) is used to study the effect of stress-strain cycles on the dielectric properties of butyl rubber vulcanizates filled with silica. The influence of chemical modification of the surface of the silica by silane coupling agent (Si69) also was investigated. In addition Tr…
The chiral conducting polyaniline (PANI) nanocomposites [polyacrylic acid/polyaniline/(−) camphorsulphonic acid (CSA)] were synthesized using enzyme, horseradish peroxidase (HRP) in the aqueous buffer solution at pH 4.3. It appears that the enzyme HRP apart being a biocatalyst, plays an important role during the polym…
Polyacrylamide/guar gum (PAam/GG) adduct was prepared by polymerization of a highly concentrated solution of acrylamide (Aam) in the presence of guar gum (GG) by using ammonium persulfate initiator. The adduct was used as a thickener for reactive printing of wool and nylon‐6 under different conditions, including thick…
Polyepichlorohydrin (PECH)/organically modified montmorillonite (OMMT) nanocomposites were prepared by using dichloromethane (DCM) as a cosolvent for both polymer and clay at room temperature, through the solvent-casting method. X-ray diffraction (XRD) was used to confirm the formation of nanoscale polymer/OMMT nanoco…
Waterborne polyurethane/poly(methyl methacrylate) (PMMA) hybrid materials reinforced with exfoliated organoclay were prepared. The emulsion particle size increased as the contents of PMMA or organoclay was increased. X-ray diffraction patterns showed the effective exfoliation of the silicate layer in the polymer matri…
Jute yarns were treated with ionizing gamma radiation to improve the physico‐mechanical properties. To optimize the grafting conditions, jute yarns were soaked for different soaking times (3, 5, 10, and 30 min) in 1,6‐hexanediol diacrylate (HDDA) + methanol (MeOH) solutions of different HDDA (1–10%) concentration alon…
Nanocomposites of poly (1-butene) (PB)/clay were prepared by melt intercalation. Organically modified clay was used to facilitate the melt intercalation. The effect of modified layered silicate on crystallization, spherulitic structures and polymorphism of PB was investigated. Isothermal crystallization studies clearl…
Brabender plasticorder internal mixer was used to incorporate rice husk powder into polypropylene. Rice husk powder (RHP)‐filled polypropylene (PP) composite was prepared by varying mixing time under constant rotor speed (50 rpm) at two mixing temperatures. Brabender mixing torque, tensile properties, morphology, and…
Supercritical CO 2 modified with a methanol/dichloromethane mixture was used to quantitatively remove the template molecules (cetyltrimethylammonium bromide) from the pores of as-synthesized pure siliceous MCM-41 in a flow apparatus. The resulting mesoporous MCM-41 materials, characterized by powder X-ray diffraction,…
The NO(2)(-) ion, in the trans-octahedral [Ni(II)(N,N'-dimethylethylenediamine)(2)(NO(2))(2)](H(2)O) complex, coordinates the metal through the nitrogen atom (nitro form). On heating the solid complex, the anion rotates to give nitrito coordination (oxygen bound), according to a reversible process. The coordination mo…
Two inorganic-organic hybrid compounds with the formula M(4,4'-bipy)(H(2)O)V(2)Se(2)O(10) (M = Co, Ni) were hydrothermally synthesized and characterized by single-crystal X-ray diffraction. Compounds Co(4,4'-bipy)(H(2)O)V(2)Se(2)O(10) (1) and Ni(4,4'-bipy)(H(2)O)V(2)Se(2)O(10) (2), which are structural analogues, crys…