Materials Literature
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Combined complete active space perturbation theory (CASPT2) and multireference configuration interaction calculations with single and double excitations (MR-CISD) were performed in order to explore possible deactivation pathways of thymine after photoexcitation. Equilibrium geometries are reported together with a tota…
Trilayer composites consisting of 0.9Pb(Zr0.52Ti0.48)O3–0.1Pb(Zn1/3Nb2/3)O3 (0.9 PZT-0.1 PZN) and Ni0.6Cu0.2Zn0.2Fe2O4 (NCZF) in the configuration NCZF-(0.9 PZT-0.1 PZN)-NCZF were synthesized using pressure assisted sintering. Composites with optimized magnetostrictive to piezoelectric thickness ratio showed a high ma…
Precipitation and crystallization of Si nanocrystals have been monitored by means of Raman spectroscopy. SiOx films with different compositions have been deposited by low-pressure chemical-vapor deposition technique onto silica substrates and treated to temperatures exceeding 800 °C. The evolution of the Raman signal…
The orientational and conformational transformation of the native liquid silk into a solid fiber in the major ampullate gland of the spider Nephila clavipes has been studied by Raman spectromicroscopy. The spectra show that the conformation of silk proteins in the glandular sac contains several secondary structure ele…
Exchange bias phenomena are observed in the bulk polycrystalline Ni49.5Mn34.5In16 alloy in which ferromagnetic and antiferromagnetic phases coexist in the martensitic state. Both the exchange bias field and coercivity are strongly dependent on temperature. The training effect of the exchange bias is found to be very s…
The interlayer magnetotransport has been considered in multilayer Dirac electron systems, in which two-dimensional electron layers with Dirac-cone dispersion stack with weak interlayer coupling. Under magnetic fields, one Landau level (zero-mode) always appears at the contact point of Dirac cones, and tunneling betwee…
Transformation optics opens an exciting gateway to design electromagnetic "invisibility" cloaks with anisotropic and inhomogeneous medium. In this paper, we establish a generalized transformation procedure to highly improve the flexibilities for the design of two-dimensional (2D) cloaks. The general expressions for th…
The objectives of this work are to demonstrate facile routes to 3-D star materials with octa- and hexadecafunctionality to provide new nanoconstruction tools for the synthesis of new types of stars, dendrimers, and hyperbranched molecules or for the assembly of novel nanocomposites. A further objective is to identify…
The possible means by which type I collagen may mediate mineralization in normal vertebrate bone, tendon, dentin and cementum as well as in pathological mineral formation are not fully understood. One consideration in this regard is that the structure of the protein is somehow important in binding calcium and phosphat…
Utilizing aligned carbon nanotube arrays grown from chemical vapor deposition, we present a highly scalable route toward the formation of ribbons and ultrathin transparent films directly from vertically aligned single-walled carbon nanotube arrays (SWNT carpets). To "lay-over" the aligned nanotubes to form a film, we…
We studied the optical properties of as-prepared (amorphous) and thermally crystallized (fcc) flash evaporated Ge2Sb2Te5 thin films using variable angle spectroscopic ellipsometry in the photon energy range 0.54–4.13 eV. We employed Tauc–Lorentz (TL) model and Cody–Lorentz (CL) model for amorphous phase and TL model w…
Chitosan is an abundantly common, naturally occurring, polysaccharide biopolymer. Its biocompatible, biodegradable, and antimicrobial properties have led to significant research toward biological applications such as drug delivery, artificial tissue scaffolds for functional tissue engineering, and wound-healing dressi…
Recent advances in nanotechnology and molecular self-assembly may provide novel solutions to current cell transplantation deficiencies. Heparin-binding peptide amphiphiles (HBPAs) self-assemble from aqueous media into nanofibers that bind growth factors through interactions with the bioactive polymer heparin. In this…
Spinel ferrite, MFe 2O 4 (M = Co, Ni), ribbons with nanoporous structure were prepared by electrospinning combined with sol-gel technology. The ribbons were formed through the agglomeration of magnetic nanoparticles with PVP as the structure directing template. The length of the polycrystalline ribbons can reach milli…
Exchange interaction strongly influences the long-range behaviour of localised electron orbitals. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual exponential decrease at large distances. For inner orbitals inside molecules decay is 1/r^2, for macroscopic sy…
The dependence of the electrical conductivity on the oxygen partial pressure is calculated for the prototypical perovskite BaTiO3 based on data obtained from first-principles calculations within density functional theory. The equilibrium point defect concentrations are obtained via a self-consistent determination of t…
We consider the electronic properties of ferromagnetic bulk ${\text{Ga}}_{1\ensuremath{-}x}{\text{Mn}}_{x}\text{As}$ at zero temperature using two realistic tight-binding models, one due to Tang and Flatt\'e and one due to Ma\ifmmode \check{s}\else \v{s}\fi{}ek. In particular, we study the density of states, the Fermi…
There is a rapidly increasing interest in the use of synchrotron small-angle X-ray scattering (SAXS) for large-scale studies of biological macromolecules in solution, and this requires an adequate means of automating the experiment. A prototype has been developed of an automated sample changer for solution SAXS, where…
Among a number of different sulfonic acid nanoreactors prepared, 5 having both acidic sites and phenyl groups located inside the mesochannels of SBA-15 was shown to be the most active and reusable catalyst in the von Pechmann reaction. The mesochannels, and covalently anchored organic groups, provide a synergistic mea…
We have characterized both the direct current conductivity and morphology of a wide range of films made from bundled nanotubes, produced by a selection of commercial suppliers. The conductivity increases with increasing nanotube graphitization but decreases with increasing film porosity P and mean bundle diameter ⟨D⟩.…