Materials Literature
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Invisibility cloaks for ellipsoids, rounded cuboids and rounded cylinders have been studied on the basis of the coordinate transformation approach. The resultant material property tensors for irregular cloaks are more complicated in comparison with those for the spherical invisibility cloak. A generalized Discrete Dip…
We have successfully developed a new methodology for the self-organization of C(60) molecules on the sidewall of carbon nanotubes for use in photoelectrochemical devices. Novel nanocarbon composites of fullerene (e.g., C(60)) and highly soluble, chemically functionalized single-walled carbon nanotubes (f-SWNT) have be…
The optical spectra of a series of core-modified tetrabenzoporphyrins were analyzed to determine the effects of core modification, ligand folding, and partial benzo substitution at the ligand periphery on the electronic structure by using magnetic circular dichroism (MCD) and NMR spectroscopy, X-ray crystallography, c…
Studies regarding the environmental impact of engineered nanoparticles (ENPs) are hampered by the lack of tools to localize and quantify ENPs in water, sediments, soils, and organisms. Neutron activation of mineral ENPs offers the possibility of labeling ENPs in a way that avoids surface modification and permits both…
We study the spin dynamics in two variants of the high-anisotropy Mn6 nanomagnet by inelastic neutron scattering, magnetic resonance spectroscopy and magnetometry. We show that a giant-spin picture is completely inadequate for these systems and that excited S multiplets play a key role in determining the effective ene…
An intrinsic characteristic of carbon nanotubes (CNTs), which are allotropes of carbon, is one-dimensional anisotropy. It is derived from the peculiar geometrical shape of the molecules and is manifested in their electrical, thermal, mechanical, and optical properties. Here, we report an optical polarizer that makes e…
AIMS: To investigate the effect of various single nutrient deficiencies on poly-beta-hydroxybutyrate (PHB) biosynthesis in a methane-utilizing mixed culture (dominant species Methylocystis sp. GB 25 DSM 7674). METHODS AND RESULTS: Poly-beta-hydroxybutyrate accumulation experiments were performed in 7 and 70 l bioreact…
We report density functional theory (DFT) calculations for gold atoms and dimers on the surface of graphene. The calculations were performed using the plane wave pseudopotential method. Calculations were performed for a variety of geometries, and both the graphene surface \nand gold atoms were allowed to fully rel…
A novel mesoporous material covalently bonded with 8-hydroxyquinoline (HQ) was synthesized (designated as Q-SBA-15). The 5-formyl-8-hydroxyquinoline grafted to (3-aminopropyl)triethoxysilane, that is, alkoxysilane modified 8-hydroxyquinoline (Q-Si), was used as one of the precursors for the preparation of the Q-SBA-15…
Abstract Through the use of microcombustion calorimetry several polymer nanocomposite, flame retardant (FR), and polymer nanocomposite + FR systems were screened for flammability performance. The use of this technique allowed for the creation of small batch (less than 50 g) epoxy formulations as compared to 400–500 g…
We present both experimental and numerical data showing the absorption of unpolarized, normally incident light by a gold crossed grating having a shallow sinusoidal profile. We show furthermore that the total absorption of unpolarized light can be achieved for an angle of incidence of 30 degrees with a crossed grating…
The N4O3 coordinating heptadentate ligand afforded binuclear complex [Cu 2(H 2L)(mu-OH)](ClO4)2 (1) and [Cu2(L)(H2O)2]PF6 (2). In complex 1, two copper ions are held together by mu-phenoxo and mu-hydroxo bridges, whereas in complex 2, the copper centers are connected only by a mu-phenoxo bridge. In 1, both the Cu(II)…
Collective behavior of driven granular matter is often strikingly analogous to that of thermal systems. Here we use a vibrated quasi-two-dimensional granular matter as a model system and investigate the mechanism of the liquid-glass transition. We demonstrate by direct observation the existence of long-lived medium-ra…
Third-order bound-charge electronic nonlinearities of Si nanocrystals (NCs) embedded in a wide band-gap matrix representing silica are theoretically studied using an atomistic pseudopotential approach. Nonlinear refractive index, two-photon absorption and optical switching parameter are examined from small clusters to…
A study was conducted to determine the quantity of water bound by hydration, the products formed during hydration, the microstructures, and the mechanical properties as a function of the relative content of reactive magnesium oxide (magnesia, MgO), pulverized fuel ash (pfa), portland cement (PC), and water used to pre…
Synperonic F-108 (generic name, 'pluronic') is a micelle forming triblock copolymer of type ABA, where A is polyethylene oxide (PEO) and B is polypropylene oxide (PPO). At high temperatures, the hydrophobicity of the PPO chains increase, and the pluronic molecules, when dissolved in an aqueous medium, self-associate i…
5,10,15,20-Tetraaryl-21-vacataporphyrin (butadieneporphyrin, an annulene-porphyrin hybrid) which contains a vacant space instead of heteroatomic bridge acts as a ligand toward palladium(II). The metal ion of square-planar coordination geometry is firmly held via three pyrrolic nitrogen atoms where the fourth coordinat…
Abstract Novel derivatives of 9,10‐dihydro‐9‐oxa‐10‐phosphaphenanthrene‐10‐oxide (DOPO) were obtained by a simple synthetic route and incorporated in epoxy resins, consisting of epoxy novolac (DEN 438), dicyandiamide (DICY), and fenuron. The thermal and fire‐retardant properties of DICY‐cured DEN 438 epoxy samples con…
ZnO twin-cones, a new member to the ZnO family, were prepared directly by a solvothermal method using a mixed solution of zinc nitrate and ethanol. The reaction and growth mechanisms of ZnO twin-cones were investigated by X-ray diffraction, UV-visible spectra, infrared and ion trap mass spectra, and transmission elect…
Daubechies wavelets are a powerful systematic basis set for electronic structure calculations because they are orthogonal and localized both in real and Fourier space. We describe in detail how this basis set can be used to obtain a highly efficient and accurate method for density functional electronic structure calcu…