Materials Literature
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The present work presents LO and TO functions in the mid-infrared region for thin films deposited from glow discharge plasmas of tetramethylsilane (TMS) diluted either in Ar or O 2 or in mixtures of these two gases. These functions were calculated through the Kramers−Krönig analysis of transmittance spectra of the fil…
A new series of phthalocyanine-containing biodegradable poly(ε-caprolactone)s have been synthesized by ring-opening polymerization of ε-caprolactone and/or 5-ethylene ketal ε-caprolactone using silicon phthalocyanine dihydroxide as the initiator and tin(II) 2-ethylhexanoate as the catalyst. The polymers have been spec…
Abstract The imaging of the near field by a slab of negative permittivity medium is discussed. The performance of this flat lens is limited by the working wavenumber k 0 and the slab thickness d . For k 0 d ≪ 0.937, the resolution of the flat lens can be smaller than the wavelength and depends logarithmically on 1/ k…
Plasma treatment of contaminated water appears to be a promising alternative for the oxidation of aqueous organic pollutants. This study examines the kinetic and oxidation mechanisms of methyl tert-butyl ether (MTBE) in a dense medium plasma (DMP) reactor utilizing gas chromatography-mass spectrometry and gas chromato…
We present what is to our knowledge a new type of diffractive optical element (DOE), the computer-generated stratified diffractive optical element (SDOE), a hybridization of thin computer-generated DOEs and volume holograms. A model and several algorithms for calculating computer-generated SDOEs are given. Simulations…
The morphological evolution of zinc oxide (ZnO) thin films deposited by magnetron sputtering is described by the use of a Structure Zone Model. A modified Structure Zone Model was revealed, in which the boundaries between zones with specific features are shifted toward lower homologous temperatures ( T / T m ) than in…
Experimental and theoretical study of nuclear magnetic resonance (NMR) spectra of dinuclear complexes of paramagnetic trivalent Tb, Dy, Ho, Er, Tm, or Yb ions with phthalocyanine ligands is presented. The 1 H NMR paramagnetic shifts of the dinuclear Pc triple-decker complexes PcLnPcLnPc* (abbreviated as [Ln, Ln]; Pc i…
The morphological evolution of ZnO thin films deposited by magnetron sputtering has been investigated on two types of substrates, (111) textured Pt and (100) Si possessing a native oxide. The ZnO films are oriented with the c- axis [0001] normal to the substrate and possess varying degrees of crystallinity. The films…
Unequal brothers: Benzoperylene carboxylic acid derivatives with flexible chains not only form charge-transporting columnar liquid crystals (see graphic), their charge-transport properties can also be tuned to be either of n- or of p-type: relatively minor changes in the substitution pattern yield different materials…
We review our recent work in the field of molecular spin clusters and single-molecule magnets, showing how inelastic neutron scattering (INS) can be used to determine magnetic exchange interactions and anisotropy splittings. A general introduction to neutron scattering precedes selected examples, building upon the fir…
Surveys of crystal form diversity of two test compounds, 1 (an experimental angiotensin II antagonist) and 2 (sertraline HCl, the active drug in Zoloft), have been performed with high-throughput (HT) crystallization. Compound 1 was found to have at least 18 crystal forms based on a HT recrystallization experiment usin…
Zircon has been proposed as a nuclear waste form to safely encapsulate weapons-grade plutonium. In order to study the impact of self-irradiation damage in zircon on its aqueous durability, we performed a hydrothermal experiment (2 M CaCl 2 solution, 600 °C, 100 MPa) with several variably radiation-damaged, i.e. amorph…
Chorismate mutase provides an important test of theories of enzyme catalysis, and of modelling methods. The Claisen rearrangement of chorismate to prephenate in the enzyme has been modelled here by a combined quantum mechanics/molecular mechanics (QM/MM) method. Several pathways have been calculated. The sensitivity o…
In this work, we describe a simple inorganic route for synthesis of monodispersed W(18)O(49) nanorods with dimensional control in the quantum confinement regime. The single-crystalline W(18)O(49) nanorods can be prepared into stable colloidal solutions, or assembled into fibrous and/or paper forms by tuning process pa…
A proton microbeam produces ferromagnetic spots on a highly oriented graphite surface. The Figure shows the topography and the magnetic force microscopy (MFM) images obtained after irradiating the surface with a beam size of 1 μm × 1 μm and a dose of 0.098 nC μm –2 . The strength of the magnetic signal is only a facto…
The one-step selective synthesis of dimethoxymethane (DMM; CH 3 OCH 2 OCH 3 ) was achieved by oxidation of dimethyl ether (DME) or methanol (CH 3 OH) with O 2 at low temperatures (453−513 K) on unsupported and SiO 2 -supported heteropolyacids with Keggin structures [H 3+ n PV n Mo 12 - n O 40 ( n = 0−4)]. These materi…
Ultrasensitive to nanogaps: Raman scattering from pairs of silver nanoparticles bound together by hemoglobin varies strongly with incident polarization. Experiments and electrodynamic calculations (see graphic) show that only that part of the incident field that is polarized parallel to the dimer axis generates intens…
The distribution of local charge excesses (DLC) in metallic alloys, previously obtained as a result of the analysis of order N electronic structure calculations, is derived from a variational principle. A phenomenological Charge Excess Functional (CEF) theory is obtained which is determined by three concentration depe…
The nonlinear capacitance in doped nanotube junctions is calculated self consistently. It decreases as a function of the applied bias when the latter becomes larger than the pseudogap of the nanotube. For this device, one can deduce a relaxation time of about 0.1 femtosecond. Because of its negative differential resis…
Pure lithium amide (LiNH 2 ) decomposes to lithium imide and ammonia at temperatures above 300 °C. Lithium hydride, on the other hand, liberates hydrogen at temperatures above 550 °C. By thoroughly mixing these two substances and conducting temperature-programmed desorption (TPD), we noticed that hydrogen was produced…