Materials Literature
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This paper reports the kinetics of hydrogen generation from the reaction between sodium borohydride and methanol, water, and their mixtures over a temperature range between −20 and +50 °C. Hydrogen generation was found to obey a first-order rate law with respect to sodium borohydride concentration for each of the four…
We conjecture that certain patterns (scars), theoretically and numerically predicted to be formed by electrons arranged on a sphere to minimize the repulsive Coulomb potential (the Thomson problem) and experimentally found in spherical crystals formed by self-assembled polystyrene beads (an instance of the generalized…
Recently (PRL 96, 106804 (2006)) it was suggested that cobaltocene(CC) molecules encapsulated into (7,7) carbon nanotubes (CNT@(7,7)) could be the basis for new spintronic devices. We show here based on impact molecular dynamics and DFT calculations that when dynamical aspects are explicitly considered the CC encapsul…
A new method based on the Kirkendall effect is developed to fabricate Ti–Al porous alloys with open pores and adjustable pore size. This novel porous material (microstructures shown in the figure) has excellent pore size stability and outstanding corrosion and oxidation resistance. These exceptional advantages of fabr…
The ability to create thick tissues is a major tissue engineering challenge, requiring the development of a suitable vascular supply. Current trends are seeing the utilization of cells seeded into hybrid matrix/scaffold systems to create in vitro vascular analogues. Approaches that aim to create vasculature in vitro i…
Numerical algorithms for discrete dislocation dynamics simulations are investigated for the purpose of enabling strain hardening simulations of single crystals on massively parallel computers. The algorithms investigated include the calculation of forces, the equations of motion, time integration, adaptive mesh refine…
We report the results of first-principles molecular dynamics simulations of liquid ${\mathrm{Al}}_{1\ensuremath{-}x}{\mathrm{Mn}}_{x}$ alloys at three different compositions. The local structure as defined by the Bhatia-Thornton partial structure factors is found to display significant changes at $x=0.4$. In addition,…
Abstract Binary blends using metallocene ethylene‐1‐octene copolymer as matrix were prepared and subjected to electron beam (EB) irradiation (50, 100, and 200 kGy). Gel content and melt flow index values indicated that the blends were crosslinking. Fourier transform infrared‐ATR spectroscopy was used to study the cros…
The principles, the benefits, and the preconditions of a self-controlled coating process were introduced in previous papers by the authors [Römbach, E.; Ulrich, J. In Crystallization Meets Pharmacy; Hirasawa I., Ulrich, J., Eds.; Waseda University, Tokyo, 2005; pp 1−6. Römbach, E.; Ulrich, J. In 16th International Sym…
Abstract Reactions of ( n Bu 4 N) 4 [(NbW 5 O 18 ) 2 O] with trialkyl/arylsilanols in dichloromethane and/or acetonitrile forms respectively ( n Bu 4 N) 2 [NbW 5 O 19 SiRR′ 2 ] [R = R′ = Et ( 1 ), i Pr ( 3 ), O t Bu ( 4 ), Ph ( 5 ); R = t Bu and R′ = Me ( 2 )] in ca. 90–64 % isolated yields. The compounds have been ch…
Ethylenediaminetetraacetate is converted into its triacetate by peroxotitanate(IV), and strong chelation of the triacetate ligand to the metal center facilitates elimination of the pendant acetoxylate group. Various species of peroxotitanium(IV) complexes in the reaction sequence are fully characterized.
2,4-Bis(4-dimethylaminophenyl)-6-alkylthiopyrylium and selenopyrylium dyes are essentially nonfluorescent (phi F < 0.001) and are poor generators of singlet oxygen in aqueous solution. However, upon complexation to calf thymus DNA, quantum yields for both fluorescence and generation of singlet oxygen increased dramati…
Biomorphic CaCO 3 with different hierarchically ordered micro- and nanostructures was fabricated with natural cellulose substances as the host templates. The fabrication involves two mild sonication processes in which calcium and carbonate ions are sequentially added to the template, together with subsequent calcinati…
Size- and temperature-dependence of photoluminescence from CdTe nanocrystals has been studied in a room-temperature ionic liquid. With temperature decreasing from room temperature to 14 K, the photoluminescence intensity increases considerably and the emission quantum yield reaches almost 0.95 below 100 K. The emissio…
The temperature and frequency dependences of the dielectric responses and the complex impedance spectra of polycrystalline $\mathrm{Ca}{\mathrm{Cu}}_{3}{\mathrm{Ti}}_{4}{\mathrm{O}}_{12}$ (CCTO) doped with $\mathrm{Ca}\mathrm{Si}{\mathrm{O}}_{3}$ have been investigated. The dielectric responses show two Maxwell-Wagner…
Poly(ethylene terephthalate) (PET) was incorporated with different amounts of TiO 2 nanoparticle and then spun into fibers of different diameters. Surface properties of these modified fibers were investigated by friction force, scanning electron microscopy, energy dispersive X-ray analysis, and electron spectroscopy f…
Highly dispersed silver nanoparticles could be used as catalysts, as staining pigments for glasses and ceramics, as antimicrobial materials, in surface-enhanced Raman spectroscopy, as transparent conductive coatings, in electronics, etc. Consequently, the versatility of such particles provides strong incentives to the…
An accurate calculation of the exciton–phonon interaction matrix elements and Huang–Rhys parameter for nearly spherical nanocrystals (NCs) of polar semiconductor materials is presented. The theoretical approach is based on a continuum lattice dynamics model and the effective mass approximation for electronic states in…
Abstract The electronic structure and magnetic properties of the recently synthesized V IV /V V mixed‐valence alkoxo‐polyoxovanadate comprising a hexanuclear vanadium core with four unpaired electrons have been studied within the DFT framework. The results of calculations suggest that the d electrons are completely tr…
We present here a detailed investigation of the magnetic and structural behaviours of a ferromagnetic shape memory alloy with nominal composition Ni 2 Mn 1.44 Sb 0.6 . The alloy undergoes a structural transition from a high-temperature cubic phase ( ) to an orthorhombic low-temperature phase below approximately 200 K.…