Materials Literature
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The most difficult aspect of the realistic modeling of granular materials is how to capture the real shape of the particles. Here we present a method to simulate granular materials with complex-shaped particles. The particle shape is represented by the classical concept of a Minkowski sum, which permits the representa…
In this report, we examine the relaxation phenomena of a spin qubit coupled to a spin chain with a $1/r^2$ interaction.
A procedure for carrying out iterative model building, density modification and refinement is presented in which the density in an OMIT region is essentially unbiased by an atomic model. Density from a set of overlapping OMIT regions can be combined to create a composite 'iterative-build' OMIT map that is everywhere u…
The antimicrobial activity and mechanism of CdTe quantum dots (QDs) against Escherichia coli were investigated in this report. Colony-forming capability assay and atomic force microscopy (AFM) images show that the QDs can effectively kill the bacteria in a concentration-dependent manner. Results of photoluminescence s…
Advanced Mg alloys require a stable microstructure that maintains good mechanical properties when exposed to high temperatures. On the basis of this demand, the search for new Mg alloys has stimulated the imagination of material scientists. This review's discussion ranges from modifications of commercial Mg-Al- and Mg…
Epitaxial growth of graphene on SiC surfaces by solid state graphitization is a promising route for future development of graphene based electronics. In the present work, we have studied the morphology, atomic scale structure, and electronic structure of thin films of few-layer graphene (FLG) on SiC(0001) by scanning…
A graphene monolayer has been prepared on an Ir(111) single crystal via pyrolytic cleavage of ethylene (C 2 H 4 ). The resulting superstructure has been examined with scanning tunneling microscopy (STM) and low energy electron diffraction. It has been identified as a well aligned, incommensurate (9.32 × 9.32) pattern,…
The concept of the spin gapless semiconductor in which both electron and hole can be fully spin polarized is proposed, and its possibility is presented on the basis of first-principles electronic structure calculations. Possible new physics and potential applications in spintronic devices based on the spin gapless sem…
Utilization of non wood material as raw material in wood industry would be increase in the future because environmentally issues. The objective of this research were to evaluate characteristic of coir, recycled polypropylene (RPP), and tali bamboo (Gigantochloa apus) as raw material in composite board and find out the…
5-Aminolevulinic acid (5ALA) is the key synthetic building block in protoporphyrin IX (PpIX), the heme chromophore in mitochondria. In this study density functional theory calculations were performed on the tautomers of 5ALA and the tautomerization reaction mechanism from its enolic forms (5-amino-4-hydroxypent-3-enoi…
Thin polymer films containing polyaniline doped with several organic dopants were manufactured and their conductivity was measured. The effect of chloroform vapour on the composite film conductivity was examined. The possibility of fabricating polyaniline-based chemiresistors working as gas detectors was taken into co…
Effects of maleimidophenylmethacrylates on thermal stability of polystyrene have been examined by dynamic thermogravimetric analysis in air conditions. The maleimidophenylmethacrylates with substitutes of various molecular architecture in imide cycle have been built in polystyrene macromolecular chains (as much as 1 m…
Ionic conductivity of four chitosan based electrolyte systems viz., chitosan–H3PO4, chitosan–H3PO4–Al2SiO5, chitosan–H3PO4–NH4NO3 and chitosan–H3PO4–NH4NO3–Al2SiO5 were studied by impedance spectroscopy in the frequency range from 50 Hz to 1 MHz and varying temperatures from 293 K to 373 K. The sample 0.62 chitosan −…
Molecular switch: Porphyrin dimers incorporating a quinone or hydroquinone unit as the bridge have been synthesized by palladium-catalyzed cross-coupling reactions. Their electronic absorptions and electrochemistry show that this type of molecules acts as a switchable molecular wire (see scheme).
This work presents a cyclic voltammetry study of the polyaniline/polyluminol copolymer on platinum electrodes. The results show that under determined conditions it is possible to obtain the copolymer deposited on a metallic surface. The luminol presence clearly affects the oxidation of aniline in the nucleation proces…
Abstract The supramolecular structure in pipe walls of isotactic PP‐R is a function of compound composition and processing parameters, which both influence the mechanical properties of the pipes. µFTIR shows a gradient of the crystallinity across the pipe wall, with a lower‐crystalline outer layer, and a higher‐crysta…
In this article the temperature dependence of absorption spectra of vacuum sublimed cobalt phthalocyanine (CoPc) thin layer is presented. For comparison the optical properties of CoPc solution were also investigated. Absorption measurements revealed strong intermolecular interaction in the solid form as well as the pr…
In this work, transparent luminescent nanocomposites were obtained using manganese – doped ZnS nanoparticles with crystallite sizes of about 10 nm, dispersed in the monomer isobornyl acrylate (IBOA). Suited nanocrystals of Mn2+-doped ZnS have been prepared by arrested precipitation in the presence of capping agents li…
Abstract A series of novel biodegradable aromatic– aliphatic poly(ester amide)s containing approximately equal amounts of amide and ester groups were successfully prepared through the interfacial polycondensation of 1,6‐hexanediamine and aromatic diacylchlorides containing ethylene oxide moieties. The structure of the…
Hereinafter we discuss our last five years investigations in the field of new highly efficient polymers for liquid crystal (LC) photoalignment. New polymers finally proposed are based on methacryloylaminoarylmethacrylates with two methacryloyl groups of different reactivity. Fries rearrangement and photocrosslinking/p…