Materials Literature
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Catalytic cornerstone: Lanthanide(III) complexes of a lacunary Dawson-type polyoxometalate catalyze Lewis acid mediated reactions (see figure, TMS=trimethylsilyl). The compounds (NBu4)5H2[α1-Ln(H2O)4P2W17O61] (Ln=Yb, Sm, Eu, La) are much more chemoselective than the lanthanide triflates. Furthermore, the polyoxotungst…
In this paper, we present a new procedure for the rapid synthesis of luminescent ZnSe nanocrystals in aqueous phase by microwave irradiation with controllable temperature. The effects of microwave irradiation and experimental conditions on the synthesis of nanocrystals were investigated systematically. It was found th…
Wires to particles: A subtle balance of H-bonding, π-stacking, and van der Waals interactions facilitates the concentration-controlled self-assembly of a short molecular wire (see figure) into nanoparticles and fluorescent microspheres in nonpolar hydrocarbon solvents. Above a critical concentration, a blue-light emit…
Bianisotropics is conceived as a physical concept describing electromagnetic media which possess intrinsic mechanisms of magnetoelectric coupling. We propose the main idea of bianisotropics as a combination of two physical notions: (a) the near-field manipulation and (b) chirality. From classical laws these two notion…
We investigate theoretically the resonant inelastic x-ray scattering (RIXS) at the $K$ edge of Si on the basis of an ab initio calculation. We calculate the RIXS spectra with systematically varying transfered-momenta, incident-photon energy and incident-photon polarization. We confirm the anisotropy of the experimenta…
To discuss a possibility that the superconductivities in Na_xCoO_2yH_2O are induced by the electron correlation, we investigate the possible pairing symmetry based on the single-band Hubbard model whose dispersion of the bare energy band is obtained by using FLAPW-LDA band structure calculation of Na_xCoO_2yH_2O. The…
We study the resonant inelastic x-ray scattering (RIXS) at the $K$ edge of Ge. We measure RIXS spectra with systematically varying momenta in the final state. The spectra are a measure of exciting an electron-hole pair. We find a single peak structure (except the elastic peak) as a function of photon energy, which is…
Abstract Since their discovery in 1991 by Iijima [1], carbon nanotubes (CNTs) have probably become the most promising nanomaterials due to their unique mechanical, electronic and chemical properties. Our aim is to improve the mechanical properties of cement pastes by the addition of CNTs, giving rise to a new and high…
The electronic structure and the stability of both neutral and singly charged (TiO2)n clusters with n = 1-9 have been investigated using the density functional B3LYP/LANL2DZ method. The lowest-lying singlet clusters tend to form some compact structures with one or two terminal Ti-O bonds, which are about 1.4-2.5 eV mo…
This study was aimed at assessing the potential use of electrospun fibers as drug delivery vehicles with focus on the different diameters and drug contents to control drug release and polymer fiber degradation. A drug-loaded solvent-casting polymer film was made with an average thickness of 100 microm for comparative…
In this work, we present the first calculation of the resonance Raman scattering (RRS) spectrum of rhodamine 6G (R6G) which is a prototype molecule in surface-enhanced Raman scattering (SERS). The calculation is done using a recently developed time-dependent density functional theory (TDDFT) method, which uses a short…
In this study, the sulfidization of Na2CO3 was investigated by using a solid-gas reaction under a sulfidizing gas mixture, which consisted of COS, CS2, and S2 gases. Sodium sulfide pentahydrate, Na2S·5H2O, was prepared from sodium carbonate, Na2CO3, via a sulfidizing gas mixture by a solid-gas reaction under the cooli…
The ac data in terms of impedance and dielectric loss (tanδ) were exploited simultaneously to probe the dielectric relaxation mechanisms in Bi5TiNbWO15 ceramics. It was found that two distinct relaxation mechanisms exist in the low-frequency range (10Hz–5MHz). One is attributed to the grain boundary relaxation and the…
Temperature dependent preedge and extended x-ray absorption fine structure measurements at the Zr $K$ edge for the perovskite-type zirconates $\mathrm{Pb}{\mathrm{Zr}}_{0.515}{\mathrm{Ti}}_{0.485}{\mathrm{O}}_{3}$ (PZT), $\mathrm{Pb}\mathrm{Zr}{\mathrm{O}}_{3}$ (PZ), and $\mathrm{Ba}\mathrm{Zr}{\mathrm{O}}_{3}$ are pe…
Abstract Characterization of molecular structure and orientation of six commercially available gel‐spun polyethylene fibers have been carried out using infra‐red and Raman spectroscopy, thermal and X‐ray diffraction analysis, together with optical microscopy techniques. Thermal and X‐ray diffraction analysis revealed…
We have recently proposed [D. Cangialosi et al., J. Chem. Phys. 123, 144908 (2005)] an extension of the Adam-Gibbs [J. Chem. Phys. 43, 139 (1965)] theory, combined with the concept of self-concentration, to describe the temperature dependence of the relaxation time for the component segmental dynamics in miscible poly…
Using an ab initio total energy method, we have calculated the surface energy and surface stress of Cr2AlC(0001) with the configuration of the top layer as Al[(0001)Al], Cr[(0001)Cr], and C[(0001)C] atoms, respectively. Both the surface energy and surface stress of (0001)Cr are very close to (0001)C. While those of (0…
The behavior of periodic plane arrays of split ring resonators (SRRs) and of complementary split ring resonators (CSRRs) when they are illuminated by a plane wave is analyzed. The effects of the angle of incidence and polarization are considered. A surface admittance approach is used for the analysis. Experimental res…
Abstract The present study demonstrates in situ real‐time attenuated total reflection (ATR)–FTIR spectroscopy as a powerful tool for monitoring and analyzing different polymerization and polymer modification reactions. Thus, a metallocene catalyzed copolymerization of propene and 10‐undecene‐1‐ol, a polycondensation r…
Abstract A nonspecific chitosan hydrolytic enzyme, cellulase, was immobilized onto magnetic chitosan microspheres, which was prepared in a well spherical shape by the suspension crosslinking technique. The morphology characterization of the microspheres was carried out with scanning electron microscope and the homogen…