Materials Literature
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We present a theoretical study of the 1 H NMR chemical shifts in low-valent transition metal hydrides based on density functional theory and gauge-including atomic orbitals (DFT-GIAO). Calculations have been carried out on the representative hydrides HM(CO) 5 (M = Mn, Tc, Re), H 2 Fe(CO) 4, HCo(CO) 4, [HCr(CO) 5 ] -,…
Surface modification and functionalization of polyaniline (PAN) and polypyrrole (PPY) films were achieved by Ar plasma treatment, near-UV-induced graft copolymerization with acrylic acid (AAc) and covalent immobilization of an enzyme (trypsin). The compositions and structures of the modified and functionalized polymer…
Copper 2p3/2 x-ray photoemission spectroscopy (XPS) measurements and near-edge x-ray absorption spectroscopy (NEXAFS) studies of copper-doped ZnO thin films were carried out in order to understand the role of the dopants in increasing the film resistivity. c-Axis-oriented ZnO films (thickness 120 nm) were deposited by…
Magneto-oscillatory behavior of the organic metal $\ensuremath{\kappa}$- $(\mathrm{BEDT}$- $\mathrm{TTF}{)}_{2}\mathrm{Cu}(\mathrm{NCS}{)}_{2}$ has been studied at temperatures above 2 K at which the thermodynamic quantum oscillations are highly suppressed due to the temperature smearing of the Fermi level. Under this…
Real time spectroscopic ellipsometry has been applied to characterize the substrate temperature (T) dependence of the deposition rates for nanocrystalline diamond thin films prepared by microwave plasma-enhanced chemical vapor deposition on seeded Si substrates. With the real time capability, it is possible to determi…
Surface preparation of aluminium alloy adherends is designed to minimize the influence of organic contaminant on the durability of epoxy adhesive bonds. The organic contaminant molecules have the potential to inhibit the bonding of the adhesive with the surface oxide on the adherend. X-ray photoelectron spectroscopy (…
The band structure of the layered perovskite SrBi2Ta2O9 (SBT) was calculated by tight binding and the valence band density of states was measured by x-ray photoemission spectroscopy. We find both the valence and conduction band edges to consist of states primarily derived from the Bi–O layer rather than the perovskite…
This paper describes the characterization by x-ray photoelectron spectroscopy (XPS) of several Ge-doped silica glasses before and after reactive ion etching (RIE) in sulphur hexafluoride (SF6). These glasses have been commonly used in the production of optical waveguides, with varying amounts of GeO2 dopant. Surface c…
In the course of plasma deposition of organic-polymeric thin films, radicals are incorporated into the growing film. These radicals initiate spontaneous oxidation reactions that continue over many weeks when the plasma polymers are stored in air. The resultant changes to the composition with time were monitored by XPS…
The surfaces of zinc sulphide particles after copper(II) activation at pH 9 have been studied by x-ray photoelectron spectroscopy. The influence of x-ray irradiation time on the forms and intensities of the photoelectron signals from zinc sulphide particles activated at various copper coverages was investigated. High…
The temperature variation of planar electromechanical coupling coefficient (kp) in Pb(ZrxTi1−x)O3(PZT) ceramics near the morphotropic phase boundary (MPB) compositions has been correlated with structural changes to show that the maximum electromechanical response at a given composition (x) is a function of temperature…
Carbon nitride thin films have been deposited on silicon substrates, using a newly developed surface wave discharge/pulsed laser deposition system. Nitrogen incorporation in the films is examined by x-ray photoelectron spectroscopy (XPS). It shows that interaction between the laser ablated carbon species and nitrogen…
Ultraviolet (UV) light emission with almost the same peak wavelengths from thermally oxidized porous silicon (OPS) (340, 355, and 370 nm) and SiO2 powder (340, 350, and 370 nm) has been observed. Photoluminescence excitation spectra of OPS without Si nanoscale particles (SNP) and those of SiO2 powder are very similar,…
We have used digital video microscopy to study the equilibrium structure of quasi-two-dimensional suspensions of sterically stabilized uncharged polymethylmethacrylate spheres. Our experiments reveal the existence of an equilibrium hexatic phase as well as strongly first-order liquid-to-hexatic and hexatic-to-solid ph…
We calculate the distribution function of the end-to-end distance of a semiflexible polymer with large bending rigidity. This quantity is directly observable in experiments on single semiflexible polymers (e.g., DNA, actin) and relevant to their interpretation. It is also an important starting point for analyzing the…
The crystal structure of trilanthanum trichloride pyrosilicate, La3(Si2O7)Cl3, has been determined. The main building units are La(1)Cl4O5, La(2)Cl5O5 and La(3)Cl3O6 polyhedra, and Si2O7 pyrosilicate groups.
A new route for nylon-6,6 synthesis has been studied. The process is grounded on the synthesis of an α-amino ω-ester monoamide precursor (AME-6,6) easily available in reacting in the bulk hexamethylene diamine and dimethyl adipate at a low temperature (T ≅ 50°C) preferably in the presence of a phenol derivative. In su…
Two simple techniques using single-crystal specimens in polarized infrared attenuated total reflection (ATR) spectroscopy were developed for structural studies of molecular crystals, in particular of long-chain compounds. The first technique relates to a rotatory change of sample setting around the normal of the sampl…
The complexation of three kinds of sequence-ordered acid (co)polymers with a base homopolymer was studied. The acid polymers used are poly(methacrylic acid) 1, alternating (1:1) ethylene-methacrylic acid copolymer 2, and periodic (2:1) ethylene-methacrylic acid copolymer 3, and the base polymer is poly(4-vinylpyridine…
We have conducted a detailed study of Kr films adsorbed on BN. We have performed adsorption-isotherm measurements and calculations for the potential energy of Kr atoms on the surface of BN. Both the experimental and the theoretical results are extensively compared to data for Kr on graphite, as well as to data for ${\…