Materials Literature
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One of the methods to render CdSe/ZnS core-shell quantum dots(QDots) water-soluble is to functionalize the surface with carboxylate groups by the use of heterobifunctional ligands such as 3-mercaptopropionic acid, where the thiolic end binds onto the outer ZnS shell. However, currently available ligand-exchange proced…
When systems that can undergo phase separation between two coexisting phases in the bulk are confined in thin film geometry between parallel walls, the phase behavior can be profoundly modified. These phenomena shall be described and exemplified by computer simulations of the Asakura-Oosawa model for colloid-polymer m…
The electronic and magnetic structures of $ {\rm ScFe_2} $ and of its dihydride $ {\rm ScFe_2H_2} $ are self-consistently calculated within the density functional theory (DFT) using the all electron augmented spherical wave (ASW) method with the local spin density approximation (LSDA) for treating effects of exchange…
Neodymium doped yttrium aluminum garnet powders (Nd:YAG or (Y{1-x}Nd{x})3Al5O12, x=0.15, 0.25, or 0.30, respectively) were prepared by a sol-gel technique. By DTA measurements up to 2000 deg C eutectic and liquidus temperatures could be determined. Exothermal peaks in the second and subsequent DTA heating runs indicat…
We present ab initio calculations of the evolution of anisotropic magnetoresistance (AMR) in Ni nanocontacts from the ballistic to the tunnel regime. We find an extraordinary enhancement of AMR, compared to bulk, in two scenarios. In systems without localized states, like chemically pure break junctions, large AMR onl…
The site preference of 3d (Ti-Cu), 4d (Zr-Ag) and 5d (Hf-Au) transition-metal elements in L10 TiAl is studied using a combination of first-principles supercell calculations and the statistical mechanical Wagner-Schottky model. Our key finding is that both temperature and alloy stoichiometry can strongly affect the sit…
Using first-principles calculations, we model the chemical vapor deposition (CVD) growth of carbon nanotubes (CNT) on nanoparticles of late-transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metals. The process is analyzed in terms of the binding of mono- and diatomic carbon species, their diffusion pathways, and the st…
The determinant influences of oxidants on the single-crystalline nature of manganese oxides (i.e., Mn 3 O 4 and MnOOH single crystals) through a low-temperature hydrothermal synthesis route from a simple aqueous solution containing 20 mM Mn(CH 3 COO) 2 ·4H 2 O at 120 °C are demonstrated in this work. The absence of ox…
Abstract The aim of this study is to evaluate the efficiency of different intumescent formulations to flame retard polylactic acid (PLA). First, the ammonium polyphosphate (APP)/pentaerythritol (PER) system is chosen because it previously demonstrated a good behavior for polyethylenic matrices. The PER is then substit…
Titanium dioxide nanoparticles (nano-TiO2) are widely used as a photocatalyst in air and water remediation. These nanoparticles are known to induce toxicity; however, their cytotoxic mechanism is not fully understood. In this study, we investigated the underlying mechanism of nano-TiO2-induced cytotoxicity in peripher…
Chromium doped zinc telluride thin films with various doping concentrations are fabricated by magnetron sputtering. These films are ferromagnetic and the Curie temperature increases with Cr concentration. X-ray diffraction, transmission electron microscopy, and magnetic circular dichroism characterizations show that t…
By means of high resolution synchrotron X-ray and neutron powder diffraction we have investigated the structural evolution of Pr 0.50 Ca 0.50 Mn 0.99 Ti 0.01 O 3 . We have found two structural transitions on cooling; the first takes place at T CO ≃ 240 K and the second in a wide temperature range around 100−140 K. Bel…
A monocrystalline diamond detector was used for measurements of soft x-ray and ion emission from laser plasma obtained with the use of the PALS Asterix laser at intensities on the order of 1016 W/cm2 and pulse duration of 300 ps. Measurements were performed by varying the laser intensity and the focal position of the…
Structural and mechanical properties of single-walled carbon nanotubes (SWCNTs) completely filled with bimetallic alloys are investigated using classic molecular dynamics method. Progresses on both synthesis and property researches of metal-filled carbon nanotubes are also comprehensively reviewed. Different initial e…
We have measured and analyzed x-ray photoelectron spectra of a series of GexAsySe1−x−y glasses. The valence band spectra show that a number of Se-rich structures exist in the samples. After decomposing Ge, As, and Se3d spectra into several doublets and assigning them to the different local bond structures, it was foun…
This study describes an electrically tunable two-dimensional (2D) liquid crystal holographic polarization grating. It is a twisted nematic grating array, which is obtained by orthogonally overlaying two crossed one-dimensional (1D) polarization holograms. A 1D polarization hologram has a rotating linear polarization p…
The photodegradation behavior of three different transparent silicone elastomers, primarily used in space, was investigated experimentally. Samples were irradiated by an artificial ultraviolet (UV) light source, whose spectrum was split into five discrete wavelength bands in the range from 200 to 400 nm. The transmitt…
Periodic mesoporous organosilicates were synthesized under basic conditions using mixtures of phenyl and biphenyl silsesquioxane precursors in the presence of octadecyltrimethylammonium chloride as structure-directing agent. In addition to the hexagonally arranged mesopores, the materials derived from mixed precursors…
The electronic properties of single-wall AlGaN2 nanotubes were investigated using first-principles calculations and generalized gradient approximation. All AlGaN2 nanotubes considered are semiconductors, but their band structures depend on their chirality and size due to curvature effect and symmetry. The zigzag AlGaN…
The x-ray diffraction patterns, transmission electron microscopy images, and selected-area electron diffraction patterns for the ZnO∕Si heterostructures annealed at 900°C showed that orthorhombic ZnSiO3 nanoparticles were formed in the amorphous layer between the ZnO film and the Si substrate, resulting from the inter…