Materials Literature
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In orientationally disordered systems, the ENDOR (electron−nuclear double resonance) spectra of high-spin ions having weak crystal field interaction (cfi) contain nuclear transition lines (often overlapped) that belong to several different electron spin manifolds, and the transition lines for each manifold are distort…
We report on measurements of room-temperature electroluminescence from single silicon nanocrystals. The electrically driven emission reveals typical characteristics of single-nanocrystal luminescence: the peak wavelength variations, narrowing of spectral bands, a high degree of linear polarization, and intensity fluct…
Ring-opening polymerization (ROP) of l -lactide (LLA) was carried out in bulk and toluene solution, respectively, using sodium bis(2-methoxyethoxy)aluminum hydride (Red-Al) as the catalyst (initiator). Experimental results show that Red-Al possesses typical characteristics of a living polymerization initiator. Bulk po…
Self-assembled “supra-molecular” liquid-crystalline phases were investigated in one of a series of symmetrically tapered bisamides based on an amide core of 1,2-bis[3,4,5-tris(alkan-1-yloxy)benzamido]benzene and three alkyl tails on each side of the core. One of this series of bisamides having 14 carbon atoms in each…
By integrating different simulation techniques, we investigate the self-assembly and macroscopic properties of nanocomposites composed of nanoscale rods and a binary polymer blend. In particular, we combine a Cahn–Hilliard (CH) theory for binary mixtures and a Brownian dynamics (BD) for nanorods to create a hybrid mod…
Transparent conducting films of SnO2 are grown on single-crystal R-Al2O3 substrates by the pulsed electron beam deposition (PED) technique, and their electrical, optical, and microstructural properties are compared with the films grown by pulsed-laser deposition (PLD). In PED, the pulsed electron beam used for ablatio…
Molecular dynamics simulations of water droplets on graphite are carried out to determine the contact angle for different water–carbon potential functions. Following the procedure of Werder et al. [J. Phys. Chem. B, 107 (2003) 1345], the C–O Lennard–Jones well depth is varied to recover the experimental value for the…
Neutron and x-ray diffraction experiments of high resolving power with neutrons from a spallation source and high-energy photons from a synchrotron have been performed on compositional series of binary Zn, Nb and on mixed Zn/Nb tellurite glasses. The Te–O, Zn–O and Nb–O coordination numbers are determined by Gaussian…
The reactivities of the stoichiometric and partially reduced rutile TiO2(110) surfaces towards oxygen adsorption and carbon monoxide oxidation have been studied by means of periodic density functional theory calculations within the Car-Parrinello approach. O2 adsorption as well as CO oxidation are found to take place…
The potential energy landscape (PEL) of binary Lennard-Jones (BLJ) mixtures exhibits local minima, or inherent structures (IS), which are organized into metabasins (MBs). We study the particle rearrangements related to transitions between both successive IS and successive MB for a small 80:20 BLJ system near the mode-…
The far-infrared dielectric response of superlattices (SL) composed of superconducting ${\mathrm{YBa}}_{2}{\mathrm{Cu}}_{3}{\mathrm{O}}_{7}$ (YBCO) and ferromagnetic ${\mathrm{La}}_{0.67}{\mathrm{Ca}}_{0.33}{\mathrm{MnO}}_{3}$ (LCMO) has been investigated by ellipsometry. A drastic decrease of the free-carrier respons…
An oxide bilayer junction has been fabricated by growing a La0.32Pr0.35Ca0.33MnO3 film on 0.5 wt % Nb-doped SrTiO3 crystal, and its behavior under magnetic field is experimentally studied. It is found that external field greatly affected the rectifying property and the resistance of the junction, causing an extremely…
We employ density-functional plane-wave ab initio and tight-binding methods to study the adsorption and migration of carbon adatoms on single-walled carbon nanotubes. We show that the adatom adsorption and migration energies strongly depend on the nanotube diameter and chirality, which makes the model of the carbon ad…
The microscopic details of local particle dynamics is studied in a glass-forming one component supercooled liquid modeled by a Dzugutov potential developed for simple metallic glass formers. Our main goal is to investigate particle motion in the supercooled liquid state, and to ascertain the extent to which this motio…
By visualization of the Barkhausen effect using magnetic force microscopy we are able to provide detailed information about the physical principles that govern the magnetization reversal of a granular ferromagnetic thin film with perpendicular anisotropy. Individual Barkhausen volumes are localized and distinguished a…
Platinum and palladium dendrimer-encapsulated nanoparticles (DENs) were prepared within commercially available, fourth-generation, amine-terminated, poly(amidoamine) dendrimers (G4-NH2). The synthesis is carried out by selectively encapsulating metal complexes within the dendrimer and then reducing the resulting compo…
Single-walled nanotubes (SWNTs) industrially produced and multiwalled nanotubes (MWNTs) we produced by catalysis were investigated by transmission electron microscopy (TEM) and Fourier transform infrared (FTIR) spectroscopy. The observed spectral features, that is the peak position, intensity, and bandwidth, were rela…
Recently we performed a numerical investigation of antireflection coatings that reduce significantly the reflection over a wide range of wavelengths and angles of incidence, and we proposed some experiments to demonstrate their feasibility. We provide a theoretical description of omnidirectional antireflection coating…
Long rod-shaped M13 viruses were used to fabricate one-dimensional (1D) micro- and nanosized diameter fibers by mimicking the spinning process of the silk spider. Liquid crystalline virus suspensions were extruded through the micrometer diameter capillary tubes in a cross-linking solution of glutaraldehyde. Resulting…
We present a scheme for the calculation of linear optical properties by the all-electron full-potential linearized augmented planewave (LAPW) method. A summary of the theoretical background for the derivation of the dielectric tensor within the random-phase approximation is provided together with symmetry consideratio…