Materials Literature
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Chemical bath deposition was used to prepare antimony trisulfide (Sb 2 S 3 ) thin films, of different particle size and with noticeably different band gaps, onto glass substrates. The structural investigations revealed that the as-deposited films are amorphous in nature. The particle size determined from the intercept…
Theoretical and experimental studies were conducted to elucidate the structure and properties of amphiphilic comb polymer thin films presenting nanoscale clusters of Arg-Gly-Asp (RGD) peptides for control of cell adhesion on biomaterials. Combs comprised of a poly(methyl methacrylate) backbone and short poly(ethylene…
Abstract The present book is an accessible, comprehensive guide to diffuse neutron scattering, an important technique for studying structural disorder in materials. The text takes the reader through theoretical, computational and experimental developments in the subject and describes in detail its application to a num…
Using density functional theory the atomic and electronic structure of sodium are predicted to depart substantially from those expected of simple metals for $r_s <$ 2.48 ($p > 130$ GPa). Newly-predicted phases include those with low structural symmetry, semi-metallic electronic properties (including zero-gap semicondu…
In this article we describe recent progress in the computational many-body theory of metal surfaces, and focus on current techniques beyond the local-density approximation of density-functional theory. We overview various applications to ground and excited states. We discuss the exchange-correlation hole, the surface…
High molecular weight cyclic alpha-1,4-glucan (referred to as cycloamylose) exhibited an artificial chaperone property toward three enzymes in different categories. The inclusion properties of cycloamylose effectively accommodated detergents, which keep the chemically denatured enzymes from aggregation, and promoted p…
The tribological properties of two smooth surfaces in the presence of a thin confined film are investigated with a generic model for the interaction between two surfaces and with computer simulations. It is shown that at large normal contact pressures, an ultra thin film automatically leads to static friction between…
A sterically stabilized aqueous suspension of rodlike cellulose microcrystals was prepared by the combination of acid hydrolysis of native cellulose, oxidative carboxylation of microcrystals, and grafting of poly(ethylene glycol) having a terminal amino group on one end (PEG-NH 2, MW = 1000) using water-soluble carbod…
Pyrrole and aniline solutions were mixed in different ratios and oxidized under anodic conditions on Pt surface in protic medium. The electrocopolymerization and electrochemical properties of these alloys were investigated. Current-potential diagrams of polyaniline (PA), polypyrrole (PP) and the resulting alloys were…
I. Introduction 34 II. Chemical Structure of Polyesters 36 A. Polyethylene terephthalate 36 B. Other polyesters 36 C. Copolyesters 39 III. Surface Structure and Chemistry 40 IV. Surface Energy and Wetting Contact Angle 42 V. Surface Effects from Fiber Spinning 44 A. Fiber size and cross-sectional shape 44 B. Drawing a…
In this contribution, experimental data are presented on the solubilities and partition coefficients of two semi-synthetic antibiotics (amoxicillin, ampicillin) and their precursors ( d -phenylglycine, d -( p -hydroxy)phenylglycine, 6-aminopenicillanic acid) in water + 1-butanol mixtures at a constant temperature of 2…
Multidomain samples of ferroics (ferroelectrics, ferroelastics, and related materials) with fixed geometrical distribution of domains can offer new macroscopic properties required for particular applications. Two extreme cases of such applications are defined. In domain-geometry-engineered samples of ferroic crystals,…
The experimentally observed anomalies in temperature dependences of the Hall coefficients and the electrical resistivities for hot-pressed samples of Ge1-xAgx/2Bix/2Te with 0.095<x<0.333, due to the ferroelectric lattice instabilities in the phase transition region, are discussed. The Landau-Lifschitz type criterion f…
In this study, CaBPO5 was synthesized by different solid state reactions than reported before and its X-ray powder diffraction and IR data were reported. In one of these solid state reactions BPO4 was used as a phosphating agent. The examination of the X-ray powder diffraction data showed that this compound crystalliz…
The complex perovskite lead iron niobate, Pb(Fe 1/2 Ta 1/2 )O 3 (PFT), has been studied by neutron powder diffraction. Following collection of diffraction data at 300 K and at 10 K, structural refinements have been carried out by means of the Rietveld method. A straightforward unit cell of symmetry R 3 m was obtained…
The hydrophobicity of the mesoporous FSM-16 surface was studied by measurements of adsorption isotherms and heats of adsorption of water at 298 K. The hydrophobic−hydrophilic change on the surface derived by water adsorption was also studied. The water adsorption isotherm of freshly prepared FSM-16 was of type V and t…
Synthesis and characterization of inverted porphyrins containing S, Se, and O are reported. A simple 3 + 1 MacDonald-type condensation using modified tripyrrane containing the N-confused ring and diols afforded various N-confused porphyrins 6a-f in 19-30% yield. The single-crystal X-ray structure of 6b shows a ruffled…
Magnetic and transport properties of ultrafine La 2/3 Ca 1/3 MnO 3 (LCMO) powders synthesized by mechanical alloying with a grain size of about 18 nm have been investigated. It is found that the powder sample is superparamagnetic above 95 K. The blocking temperature ( T B ) obtained from the characteristic peak in the…
Water molecule (H 2 O) adsorption on Si 8-10 clusters has been studied using the full-potential linear-muffin-tin-orbital method. The calculations show that water molecules can be adsorbed on some sites of the cluster surfaces. Their adsorption energies are situated in the ranges 0.01-0.49 eV for Si 8 , 0.14-0.24 eV f…
A previous study on B 12 N 12 showed that the Hartree−Fock (HF) method, local density approximation (LDA), and gradient-corrected density functional theory (specifically B3LYP) all agree in predicting that the cage isomer of B 12 N 12 is the most stable. If the cage is the most stable (BN) x for x = 12, then the energ…