Materials Literature
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The contributions to the thermodynamics of liquid SPC/E water from its inherent structures have been determined over a broad range of temperature and density (220−500 K, 0.8−1.25 g/cm 3 ). Molecular dynamics simulations of shifted-force SPC/E water give a retracing locus of density maxima in the equilibrium liquid wit…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTOrganometallic Sandwich Chains Made of Conjugated Polyenes and Metal−Metal ChainsTetsuro Murahashi, Eiko Mochizuki, Yasushi Kai, and Hideo KurosawaView Author Information Department of Applied Chemistry, Faculty of Engineering Osaka University, Suita, Osaka, 565-0871,…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTCrystalline Salts of Na- and K- (Alkalides) that Are Stable at Room TemperatureJineun Kim, Andrew S. Ichimura, Rui H. Huang, Mikhail Redko, Richard C. Phillips, James E. Jackson, and James L. DyeView Author Information Department of Chemistry and Center for Fundamental…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTLight Induced Excited Pair Spin State in an Iron(II) Binuclear Spin-Crossover CompoundJean-François Létard, José Antonio Real, Nicolás Moliner, Ana B. Gaspar, Laurence Capes, Olivier Cador, and Olivier KahnView Author Information Laboratoire des Sciences Moléculaires I…
We present “design rules” for the selection of molecules to achieve electronic control over semiconductor surfaces, using a simple molecular orbital model. The performance of most electronic devices depends critically on their surface electronic properties, i.e., surface band-bending and surface recombination velocity…
Thiol-capped CdTe nanocrystals with cubic zinc blende structure are synthesized in aqueous solution. Their steady-state and time-resolved luminescence characteristics are studied at room and liquid nitrogen temperatures. A strong exciton luminescence peak at 2.3 eV dominates the emission spectrum of CdTe nanocrystals…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTPreparation of Polymer-Coated Functionalized Silver NanoparticlesLuca Quaroni and George ChumanovView Author Information Department of Chemistry Iowa State University, Ames, Iowa 50011 Cite this: J. Am. Chem. Soc. 1999, 121, 45, 10642–10643Publication Date (Web):Octobe…
Medical devices are some of the most demanding applications for polycarbonate. The properties of poly carbonate that make it desirable for use in medical devices include its transparency to light and x-rays, light weight, heat resistance, toughness, impact strength and high elongation, dimensional stability, biocompat…
Most materials either are specialty materials that find usage in small niche areas or commodity materials that have a few huge markets. This is as true for plastics as it is for other material systems. Whether we look at large-volume commodity plastics or low-volume specialty plastics, most tend to fit the 80:20 rule.…
Using a Ni−Sn heterometal alkoxide, [Ni 2 Sn 2 (O t Bu) 8 ], in a chemical vapor deposition (CVD) process, thin films of biphasic composite, Ni 3 Sn 4 /SnO 2, have been obtained. Due to the presence of two metal atoms in a single molecule, the decomposition occurs at a molecular level resulting in homogeneous incorpor…
In this paper, density functional theory is used to estimate hydrogen adsorption in a novel carbonaceous material, single-walled carbon nanotubes. An idealized adsorbent structure for the nanotubes is assumed. We have mapped out the regime of operating pressures and temperatures where an adsorption-based storage syste…
A series of tetranuclear copper(II) and nickel(II) complexes is described, all of which form by a strict self-assembly process involving just a single ligand and the metal salt. The ligands POAP, POAPZ, PZOAP, and 6POAP contain terminal pyridine and pyrazine residues bound to a central flexible diazine subunit (N−N) a…
Making use of the tight-binding Green's function technique, we have calculated the STM images of graphite with surface and sub-surface defects, while taking into account the relaxation of the lattice due to defects. We have demonstrated that two different physical mechanisms may result in the formation of hillocks in…
We present ab initio local-density-functional electronic structure calculations for the (111) and (-1-1-1) surfaces of cubic BN. The energetically stable reconstructions, namely the N adatom, N3 triangle models on the (111), the (2x1), boron and nitrogen triangle patterns on the (-1-1-1) surface are investigated. Band…
We prepared high epitaxial thin films of the compound Sr_2FeMoO_6 with narrow rocking curves by pulsed laser deposition. The diagonal and nondiagonal elements of the resistivity tensor were investigated at temperatures from 4 K up to room temperature in magnetic fields up to 8 T. An electronlike ordinary Hall effect a…
Introduction and historical background synthesis of polycarbonates quantum MO calculations, levy-stable distributions and molecular relaxation in polycarbonate polycarbonate dynamics by NMR non-bisphenol A polycarbonates mechanical properties of polycarbonates optical properties of polycarbonates PVT, specific heat an…
Globular clusters are spherical, densely packed groups of stars found around galaxies. They are thought to have formed at the same time as their host galaxy and thus provide a powerful probe for understanding stellar and galaxy evolution, as well as being studied as objects of interest in their own right. This timely…
The Jahn-Teller effect is used semi-theoretically to analyse UV visible spectra of the diamond-like carbon films on Si substrates. By deconvolution of UV visible absorption spectra of the typical films, different absorption lines are found. For each sample, six lines are distinguished, which were related to V° by the…
A group analysis of a class of drift-diffusion systems is performed. In account of the presence of arbitrary constitutive functions, we look for Lie symmetries starting from the weak equivalence transformations . Applications to the transport of charges in semiconductors are presented and a special class of solutions…
Dithiadiazafulvalenes (DTDAF) can be formed either chemically or electrochemically. Electrochemical investigations have been carried out on 2-ethylthio-1,3-thiazolium salts to determine the redox behavior of dithiadiazafulvalenes formed by cathodic coupling. Using an in situ method, the donor has been trapped in the m…