Materials Literature
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The crystalline polymorphic form of cellulose (cellulose I(alpha)-rich) of the green alga, Cladophora, was converted into cellulose III(I) and I(beta) by supercritical ammonium and hydrothermal treatments, respectively, and the hydrolytic rate and the adsorption of Trichoderma viride cellobiohydrolase I (Cel7A) on the…
We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of iron. The first step is to perform a conventional first-principles calculation…
We combine interferometric detection of single gold nanoparticles, single molecule microscopy, and fluorescence lifetime measurement to study the modification of the fluorescence decay rate of an emitter close to a nanoparticle. In our experiment, gold particles with a diameter of 15 nm were attached to single dye mol…
Defect-site enriched nanocrystalline ceria prepared by an alcoholysis method favors oxidative dehydrogenation of ethylbenzene using nitrous oxide with high conversion and selectivity at much lower temperatures compared to ceria samples prepared by other conventional methods. A direct correlation exists between the con…
The ``extended Overhauser model'' [Overhauser, Can. J. Phys. 1995, 73, 683] for the calculation of the spherically and system-averaged pair density (APD) has been recently combined with the Kohn-Sham equations to yield realistic APD and correlation energies. In this work we test this approach in the high-density (weak…
We present a general phase-field model for grain-boundary grooving and agglomeration of polycrystalline alloy thin films. In particular, we study the effects of slow-diffusing species on the grooving rate. As the groove grows, the slow species becomes concentrated near the groove tip so that further grooving is limite…
The first order phase transition of a water cluster confined in a dynamic single-walled carbon nanotube is investigated using a classical molecular dynamics (MD) method. The formation of ice-nanotube is monitored through the structure factor and potential energies. The transition temperature and its diameter dependenc…
Round the bend: Bending a molecular wire round an eight-spoked template leads to the formation of a highly symmetric belt-shaped π system (green in picture). Addition of a large excess of pyridine releases the corresponding cyclic octamer from the template.
Inorganic-polymer nanocomposites are of significant interest for emerging materials due to their improved properties and unique combination of properties. Methacrylic acid (MA), a functionalization agent that can chemically link TiO2 nanomaterials (n-TiO2) and polymer matrix, was used to modify the surface of n-TiO2 u…
With tungsten and lamp: Ketones were prepared by the photocatalytic generation of acyl radicals from aldehydes and trapping them with equimolar amounts of electrophilic alkenes. Photocatalysis with tetrabutylammonium decatungstate is effective also at low temperatures (−20 to −50 °C), thus minimizing radical decarbony…
The conventional view holds that girih (geometric star-and-polygon, or strapwork) patterns in medieval Islamic architecture were conceived by their designers as a network of zigzagging lines, where the lines were drafted directly with a straightedge and a compass. We show that by 1200 C.E. a conceptual breakthrough oc…
Liquid-phase adsorption of tetracene and phenanthrene on a single-walled carbon nanotube (SWCNT) was examined. Tetracene adsorption was more than six times greater than that of phenanthrene. X-ray photoelectron spectroscopic examination clearly showed that tetracene and phenanthrene molecules efficiently coated the SW…
Porous silica nanofibers containing catalytic silver nanoparticles have been synthesized by a new method that combines sol−gel chemistry and electrospinning technique. Tetraethyl orthosilicate (TEOS), poly[3-(trimethoxysily)propyl methacrylate] (PMCM), and silver nitrate (AgNO 3 ) were used as precursors for the produ…
Using a range of complementary experiments, a detailed investigation into the behavior of dodecane-water emulsions stabilized by a mixture of silica nanoparticles and pure cationic surfactant has been made. Both emulsifiers prefer to stabilize o/w emulsions. At high pH, particles are ineffective emulsifiers, whereas s…
Bifunctional nanocomposites comprising semiconductor and magnetic nanoparticles are of interest in biological applications for biolabeling, bioimaging, and cell separation. To this end, a nanocomposite system that consists of Fe2O3 magnetic nanoparticles and CdSe quantum dots and which exhibits superparamagnetism and…
The determination of the spectral distribution of an x-ray beam from attenuation measurements in a narrow beam has aroused great interest since it was first proposed by Silberstein in 1932. Since then, it has become clear that this is an ill-conditioned problem. Then, due to the intrinsic difficulties of the problem,…
Powders of the solid solutions In1-xCrxPO4 (0 < or = x < or = 1), In1-xCrx(PO3)3 (0 < or = x < or = 1), (In1-xCrx)4(P2O7)3 (0 < or = x < or = 0.7), and In1-xMnx(PO3)3 (0 < or = x < or = 0.8) have been synthesized by solid-state reactions. Depending on the dopant concentration, these materials show striking variations…
Using synchrotron radiation based spectroscopic methods we have investigated the surface modifications of ${\mathrm{Ga}}_{1\ensuremath{-}x}{\mathrm{Mn}}_{x}\mathrm{As}$ layers due to post growth annealing under amorphous arsenic capping layers. It is established that there is a clear increase of the Mn concentration a…
Oxygen and carbon adsorptions on a γ-Uranium (U) (100) surface have been studied at both non-spin-polarized (NSP) and spin-polarized (SP) levels using the generalized gradient approximation of the density functional theory (GGA-DFT) with Perdew and Wang (PW) functionals. For oxygen adsorption, the bridge position of (…
For the two photochromic molecules, 3-benzoyl-2-benzyl-1-methyl-1H-quinolin-4-one (QC1) and 3-benzoyl-1,2-dibenzyl-1H-1,8-naphthyridin-4-one (QC18a) as well as the nonphotochromic 3-benzoyl-1-benzyl-2-methyl-1H-1,8-naphthyridin-4-one (QC18b), the full photochemical mechanism, which is based on the photoenolization pro…