Materials Literature
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3DNALandscapes, located at: http://3DNAscapes.rutgers.edu, is a new database for exploring the conformational features of DNA. In contrast to most structural databases, which archive the Cartesian coordinates and/or derived parameters and images for individual structures, 3DNALandscapes enables searches of conformatio…
Abstract This study examined the surface morphological evolution of polycarbonate and acrylonitrile butadiene styrene (PC/ABS) irradiated with an Ar ion beam using an ion beam system. PC was not affected by the Ar ion beam treatment at a lower ion beam treatment times but the ABS portion formed a foam‐like nanostructu…
Structural, optical, and electric properties of Er 2 O 3 films obtained from Er 2 O 3 ceramic target by the method of vacuum electron-beam deposition on sapphire substrates have been investigated. Optical characteristics of the films are studied in the range from UV up to IR using techniques of absorption, reflection,…
Abstract Copper–polypyrrole composites were successfully produced with a dual plasma process. X‐ray photoelectron spectroscopy (XPS), X‐ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT‐IR) were used to characterise the structural properties. Topological and electrochemical investigations were also…
<div class="htmlview paragraph">Linear Polyphenylene Sulfide (PPS) is used in production for a variety of automotive and industrial applications. It exhibits a combination of high temperature performance, creep resistance, excellent dimensional stability and chemical resistance, and flame resistance. Recently, t…
The vaporization of Cr-rich volatile species from interconnector materials for high temperature solid oxide fuel cells (SOFCs) is considered to be a major source of degradation that limits the lifetime of planar SOFC systems (Fujita et al., 2004, “Prevention of SOFC Cathode Degradation in Contact With Cr-Containing Al…
Abstract Recently, SiC‐based ceramics have been found to exhibit corrosion damage patterns, which can only be explained by electrochemical processes. Therefore, the current work focusses on the electrochemical test procedures to determine the corrosion behaviour of solid state sintered silicon carbide (SSiC) ceramics…
Abstract Monte Carlo computer simulations of end‐tethered chains grafted onto a hard wall have been performed. The chains were modeled as self‐avoiding chains on a cubic lattice at athermal solvent conditions. The simulations spanned a wide range of chain lengths, N (100–1000, i.e., up to molecular weights of a few hu…
A cyclotriphosphazene bearing two 4-oxypyridine groups on the same phosphorus atom, gem-[N(3)P(3)(O(2)C(12)H(8))(2)(OC(5)H(4)N-4)(2)] (I), and its analogous polymer [{NP(O(2)C(12)H(8))}(0.7){NP(OC(5)H(4)N-4)(2)}(0.3)](n) (II), have been used to prepare gold or silver, cyclic and polymeric, metallophosphazenes. The fol…
Adsorption ability and reaction rate are two essential parameters that define the efficiency of a catalyst. Herein, we implement density functional theory (DFT) and report that CO can be oxidized by a pyramidal Cu cluster with an associated reaction barrier E(b)=1.317 eV. In this case, our transition state calculation…
Abstract In this research, the effect of ethanol as gasoline additive has been investigated into metal corrosion of a fuel delivery system. Corrosion tests have been performed in gasoline with different percentages of ethanol, using weight loss (immersion test) and electrochemical impedance stereoscopy (EIS) procedure…
5,15-Diarylporphyrins (1-5) with hydroxyl groups and halogens as substituents were prepared by condensation between unsubstituted dipyrromethane and halogenated m-hydroxybenzaldehydes. Photophysical properties show that the nonhalogenated porphyrin 1 has higher fluorescence yield but lower singlet oxygen formation qua…
Heparin sodium salt is investigated as a dispersant for dispersing single-walled carbon nanotubes (SWNTs). Photoluminescence excitation (PLE) spectroscopy is used for identification and abundance estimation of the chiral species. It is found that heparin sodium salt preferentially disperses larger-diameter Hipco SWNTs…
The backbone bond lengths, bond angles, and planarity of a protein are influenced by the backbone conformation (varphi,Psi), but no tool exists to explore these relationships, leaving this area as a reservoir of untapped information about protein structure and function. The Protein Geometry Database (PGD) enables biol…
Technological interest in the design of solid state materials has stimulated recent research into the development of mild molten polychalcophosphate salt fluxes for the synthesis of complex, multinary rare earth and transition metal thiophosphate compounds. The reaction pathways from elemental or metal sulfide sources…
The binding of carbon monoxide to iron, ruthenium, rhenium, and tungsten clusters is studied by means of infrared multiple photon dissociation spectroscopy. The CO stretching mode is used to probe the interaction of the CO molecule with the metal clusters and thereby the activation of the C-O bond. CO is found to adso…
Photoinduced electron transfer (ET) to and from semiconductor quantum dots (QDs) is of intense interest because of its important roles in QD-based devices, such as detectors, light-emitting diodes, and solar cells. In this study, we have investigated the solvent dependence of the interfacial ET between ZnS-capped CdSe…
Coordination behavior of the 14-membered dibenzo-O(2)S(2) macrocycle, L, with the soft metal ions such as Pd(II), Cu(I), and Ag(I) is reported. The X-ray structures of the complexes have been determined, and a range of less common structural types, including mono-, di-, and multinuclear species with discrete and conti…
Abstract A series of novel germanium(II) precursors was synthesized to initiate an investigation between the precursors' structures and the morphologies of the resulting nanoparticles. Theprecursors were synthesized from the reaction of Ge[N(SiMe 3 ) 2 ] 2 or [Ge(O t Bu) 2 ] 2 and the appropriate ligand: N , N ″‐diben…
Our new simulation scheme in isosurface-isothermal-isobaric ensemble [Eslami, H.; Mozaffari, F.; Moghadasi, J.; Müller-Plathe, F. J. Chem. Phys. 2008, 129, 194702], developed to simulate confined fluids in equilibrium with bulk, is applied to simulate polyamide-6,6 oligomers confined between graphite surfaces. The rev…