Materials Literature
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The native point defect states in ZnO have been calculated by using a full-potential linear muffin-tin orbital method. The results show that Zn vacancy and O interstitial produce the shallow acceptor levels above the valence band. The O vacancy produces a deep donor level, while Zn interstitial produces a shallow dono…
Fe4+ content and ordering of anion vacancies in partially reduced AFexTi1-xO3-y (A = Ca, Sr; x⩽0.6) perovskites. An 57Fe Mössbauer spectroscopy study, J C Waerenborgh, F M Figueiredo, J R Frade, M T Colomer, J R Jurado
Supported metal particles may exhibit properties fundamentally different from the corresponding bulk materials. To gain insight into principles underlying size- and structure-dependent phenomena, a structural characterization of small aggregates at the atomic level is crucial, while far from straightforward. A long-st…
Abstract The prediction of chemical structures that possess higher glass‐transition temperatures ( T g 's) is crucial for designing polyimides. Because of a lack of suitable parameters, several estimation methods cannot be used for this purpose. In this study, therefore, we used molecular dynamic simulation with the D…
Abstract Adsorption of 1,3‐thiazolidine‐2‐thione (ttz), 2,5‐dimercapto‐1,3,4‐thiadiazole (dmtd) and 2‐thiouracil on a silver surface was studied by the FT‐SERS technique. The FT‐SERS spectra of all these molecules indicate dissociative adsorption on the silver surface to the corresponding thiolate ion. For ttz and 2‐t…
The “bottom-up” approach to development of direct-drop processes is a powerful, yet simple, strategy that every process chemist should consider for the development of efficient, cost-effective, and environmentally friendly processes. This approach is aided by a “parallel crystallization” technique, which allows for ra…
This paper presents research aimed at actively altering the twist distribution of a tiltrotor blade between hover and forward flight. Three different concepts-extension-twist coupled composites, bimoment actuation and discrete SMA torque tube actuation - are considered, and the torque tube appears the most feasible. P…
NMR spectroscopy experiments on thermally aged cross-linked hydroxyl-terminated polybutadiene (HTPB)/isophorone diisocyanate (IPDI) based polyurethane rubber indicated only a slight temperature dependence for the degradation products distribution but revealed the presence of chemical and dynamic heterogeneities. The s…
Rheological and near-infrared (NIR) spectroscopic investigations have been undertaken for two different interpenetrating polymer networks (IPNs) based on a model vinyl ester (VER, composed of bisphenol A diglycidyl ether dimethacrylate, bisGMA, in 30 wt % styrene) cured with azobis(isobutyronitrile) (AIBN) and an epox…
Reactions between [M(N(4)-macrocycle)](2+) (M = Zn(II) and Ni(II); macrocycle ligands are either CTH = d,l-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane or cyclam = 1,4, 8, 11-tetrazaazaciclotetradecane) and [M(CN)(6)](3-) (M = Fe(III) and Mn(III)) give rise to cyano-bridged assemblies with 1D linear cha…
Photoluminescent, porous silicon pixel arrays were fabricated via a Pt-promoted wet etching of p-type Si(100) using a 1:1:1 EtOH/HF/H2O2 solution. The pixels were fabricated with micrometer-scale design rules on a silicon substrate that had been modified with an octadecyltrichlorosilane (OTS) monolayer patterned using…
We present herein details pertaining to the preparation of bioconjugates of colloidal gold with aspartic protease from the fungus Aspergillus saitoi (F-prot) and their characterization and enzymatic activity. Simple mixing of the colloidal gold and protein solutions under protein-friendly conditions (pH = 3) followed…
The adhesion between a polymer melt and substrate is studied in the presence of chemically attached chains on the substrate surface. Extensive molecular dynamics simulations have been carried out to study the effect of temperature, tethered chain areal density ($Σ$), tethered chain length ($N_{t}$), chain bending ener…
The rate of second layer nucleation -- the formation of a stable nucleus on top of a two-dimensional island -- determines both the conditions for layer-by-layer growth, and the size of the top terrace of multilayer mounds in three-dimensional homoepitaxial growth. It was recently shown that conventional mean field nuc…
The electron transport properties of well-contacted individual single-walled carbon nanotubes are investigated in the ballistic regime. Phase coherent transport and electron interference manifest as conductance fluctuations as a function of Fermi energy. Resonance with standing waves in finite-length tubes and localiz…
The photochemical instability of CdSe nanocrystals coated by hydrophilic thiols was studied nondestructively and systematically in water. The results revealed that the photochemical instability of the nanocrystals actually included three distinguishable processes, namely the photocatalytic oxidation of the thiol ligan…
The nutritionally versatile Pseudomonas putida has showed to grow in olive oil waste water called "alpechín", which is toxic for many other microorganisms. The transformation with the plasmid pSK2665, harboring Alcaligenes eutrophus genes needed for synthesis of poly (3-hidroxybutyric acid), allow Pseudomonas strain t…
Annulenoid Tetrathiafulvalenes: 5,16-Bis(1,3-benzodithiol-2-ylidene)-5,16-dihydrotetraepoxy- and 5,16-Bis(1,3-benzodithiol-2-ylidene)-5,16-dihydrotetraepithio[22]annulenes(2.1.2.1) The title compounds are among the first tetrathiafulvalenes with annulene spacers, here with tetraepoxy-[22]annulene(2.1.2.1) (see 3a), te…
Abstract Aromatic–aliphatic thermotropic liquid crystalline terpolyesters derived from 2,6‐naphthalenedicarboxylic acid, hydroquinones, and 8‐(3‐hydroxyphenyl)octanoic acid (HPOA), a monomer with built‐in kink and flexible moieties, were prepared by a melt polycondensation reaction. These polymers were characterized f…
We have investigated the electric and magnetic properties of the layered manganite (La 1- y R y ) 2-2 x Sr 1+2 x Mn 2 O 7 (R=Pr, Nd, Sm, Eu, Gd; x =0.3) with the fixed doping concentration. The average ionic radius of the La/Sr site < r A > is varied by the replacement of the La ion with different rare earth ion. For…