Materials Literature
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The reduction in H 2 /CH 4 atmosphere of aluminum−iron oxides produces metal particles small enough to catalyze the formation of single-walled carbon nanotubes. Several experiments have been made using the same temperature profile and changing only the maximum temperature (800−1070 °C). Characterizations of the cataly…
As in the combinatorial approach to materials discovery, pressure tuning allows the phase space of interaction parameters that determine materials’ properties to be explored more rapidly than by traditional means. Both the thermoelectric power and electrical conductivity of BaBiTe3 are found to increase upon compressi…
(3-Glycidoxypropyl)trimethoxysilane (GPTMS) derived hybrid organic−inorganic materials have been obtained by a new multistep nonhydrolytic/hydrolytic synthesis. The new synthesis has been achieved using titanium(IV) chloride instead of titanium alkoxides to catalyze the epoxy ring opening in the organically modified a…
Ruthenium is known to improve the CO tolerance of platinum based fuel cell catalysts, but the mechanism is unclear. Some investigators believe that the main role of ruthenium is to dissociate water, and thereby provide a faster route for the oxidation of CO. Other investigators believe that ruthenium changes the elect…
Alloying metals is often used as an effective way to enhance the reactivity of surfaces. Aiming to shed light on the effect of alloying on reaction mechanisms, we carry out a comparative study of CO oxidation on Cu3Pt(111), Pt(111), and Cu(111) by means of density functional theory calculations. Alloying effects on th…
This study deals with the effects of expandable graphite (EG) on the mechanism of degradation of polyurethane (PU). We have shown that the mechanism of expansion of the graphite is due to oxidation of the carbon layer by H 2 SO 4, rather than its decomposition, as previously suggested in the literature. On the other h…
The double-decker lutetium(III) phthalocyanine, Lu[(RS) 4 Pc] 2, where R = C 12 H 25, was synthesized and electrochemically characterized under several solution conditions. The neutral complex undergoes a single reversible one-electron oxidation and up to four reversible one-electron reductions in nonaqueous solutions…
Density functional theory is used to compute electronic and thermodynamic interactions between atomic and molecular oxygen and small Pt n clusters ( n = 2−6). Binding energies, vibrational frequencies, and charge distributions are reported. Two states are identified for the adsorption of molecular oxygen: the superoxo…
Molecular dynamics simulations were performed for a series of AB2 dendrimer models, in explicit-solvent solutions where the ratio Rg/L (Rg is the radius of gyration and L the size of the simulation box) is kept between 0.15⩽Rg/L⩽0.2. Results on static properties (size, shape, density profiles) are in good agreement wi…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTPhotoswitching of Intramolecular Magnetic Interaction Using a Diarylethene DimerKenji Matsuda and Masahiro IrieView Author Information Department of Chemistry and Biochemistry Graduate School of Engineering, Kyushu University CREST, Japan Science and Technology Corpora…
Recent studies have shown that lithium nonstoichiometry has a tremendous influence on domain reversal characteristics in ferroelectric lithium tantalate. This work presents a systematic study of the domain reversal characteristics such as threshold coercive fields for domain reversal, domain stabilization times, “back…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTThe Facile One-Pot Synthesis of Shell Cross-Linked Micelles in Aqueous Solution at High SolidsShiyong Liu and Steven P. ArmesView Author Information School of Chemistry Physics and Environmental Science University of Sussex Brighton, East Sussex, BN1 9QJ, UK Cite this:…
The conductance of carbon nanotubes with a Stone–Wales defects composed of two pentagon-heptagon pairs is calculated in an effective-mass approximation. The presence of topological defects is represented as a nonlocal potential. The results obtained in the k · p scheme agree with those in a tight-binding model.
The structural, magnetic, and electronic properties of the polycrystalline La1−xNaxMnO3 (x=0.10, 0.15, 0.20, and 0.30) are investigated. The result of the Rietveld refinement of x-ray powder diffraction shows that these compounds crystallize in a rhombohedrally distorted structure with space group R3̄C. The magnetic m…
In its most common form, the non-hydrolytic sol−gel (NHSG) process involves the reaction of a “metal” halide with an oxygen donor, leading to the formation of an inorganic oxide. The use of NHSG chemistry for the synthesis of organic−inorganic hybrids is in its infancy compared to progress on hybrid synthesis using hy…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTA Dual Fluorescence Temperature Sensor Based on Perylene/Exciplex InterconversionNirmala Chandrasekharan and Lisa A. KellyView Author Information Department of Chemistry and Biochemistry University of Maryland, Baltimore County Baltimore, Maryland 21250 Cite this: J. A…
A mixed quantum mechanics/molecular mechanics (QM/MM) model is used for investigating the nature of molecular hydrogen adsorption in pure and alkali-metal-doped single-walled carbon nanotubes (SWNTs). Our results demonstrate that the charge transfer from the alkali metal to the tube polarizes the H 2 molecule and this…
We introduce a dissipative particle dynamics scheme for the dynamics of nonideal fluids. Given a free-energy density that determines the thermodynamics of the system, we derive consistent conservative forces. The use of these effective, density dependent forces reduces the local structure as compared to previously pro…
Microlithographic objectives have been developed for deep ultraviolet and vacuum ultraviolet wavelengths used for printing and inspection applications related to microlithographic processes. Refractive and catadioptric design solutions using fused silica, calcium fluoride and other crystals are discussed. Several refl…
Recent synthesis and NMR spectroscopy of neutral Ir(V) complexes hydridotris(3,5-dimethylpyrazol-1-yl)borato tetrahydride (Tp*IrH(4)) and hydridotris(pyrazol-1-yl)borato tetrahydride (TpIrH(4)) have been interpreted as supporting face-capped octahedral structures (C(3upsilon)) with each of three Ir-H bonds trans to an…