Materials Literature
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The coupling of a semimetallic carbon nanotube to a surface acoustic wave (SAW) is proposed as a vehicle to realize quantized adiabatic charge transport. We demonstrate that electron backscattering from a periodic SAW potential can be used to induce a miniband spectrum at energies near the Fermi level. Within the fram…
Abstract Star‐shaped low molecular weight poly(ε‐caprolactone)s (PCLs) were synthesized and functionalized with crosslinkable terminal groups for subsequent crosslinking. The ε‐caprolactone (CL) prepolymers were polymerized by ring‐opening in the presence of polyglycerine (PGL) as an initiator (1, 3 and 5 mol%) and Sn…
Abstract Two different biodegradable polyesters [polycaprolactone (PCL) and poly(3‐hydroxybutyrate ‐co‐ valerate) (PHBV)] were blended with a maize starch that had high amylose content through the use different reactive approaches. The compatibilization of both systems was obtained. PCL/starch composites were obtained…
Silicon nanocrystals were prepared by laser pyrolysis of silane in a gas flow reactor and deposited on substrates by cluster beam deposition. The evolution of the photoluminescence was measured as a function of the time the samples were exposed to air. With gradual air exposure and oxidation, the photoluminescence inc…
Li-doped films with controlled stoichiometries were prepared by performing redox reactions between single-wall carbon nanotubes thin films and solutions of organic radical anions. A monotonic upshift of the tangential modes is evidenced for ${\mathrm{Li}}_{x}\mathrm{C}$ compounds $(0<~x<~0.17).$ A similar doping…
Abstract Liquefaction of waste paper (WP) was conducted in the presence of polyhydric alcohols to prepare biodegradable polyurethane foam. The liquefied‐WP‐based polyol had suitable characteristics such as apparent molecular weight, hydroxyl value, and viscosity for the preparation of rigid polyurethane foam and was s…
This review describes work on the conformational stability of the collagen triple helix. In 1994, the structure of collagen was determined at high resolution. Since then, much work has been done on synthetic mimics of collagen that contain host-guest peptides, tethers, peptoid residues, or analogs of the prevalent 4(R…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away from defects and interfaces. We propose a new class of matching conditions betw…
A ${\mathrm{TiS}}_{2}$ crystal with a layered structure was found to have a large thermoelectric power factor. The in-plane power factor ${S}^{2}/\ensuremath{\rho}$ at 300 K is $37.1\ensuremath{\mu}{\mathrm{W}/\mathrm{K}}^{2}\mathrm{cm}$ with resistivity (\ensuremath{\rho}) of 1.7 m\ensuremath{\Omega} cm and thermopow…
Even though our theoretical understanding of dendritic solidification is relatively well developed, our current ability to model this process quantitatively remains extremely limited. This is due to the fact that the morphological development of dendrites depends sensitively on the degree of anisotropy of capillary an…
We show that the choice of the sign of the hopping matrix in our impurity band model for disordered III-V diluted magnetic semiconductors [PRL 87, 107293 (2000); cond-mat/0111045] is justified: with this choice, the impurity band is placed inside the gap and it has a mobility edge, as expected for a disordered system.…
P-doping of zinc phthalocyanine (ZnPc) with tetrafluorotetracyanoquinodimethane (F4-TCNQ) is investigated with ultraviolet and x-ray photoemission spectroscopy, inverse photoemission spectroscopy, and in situ current–voltage (I–V) measurements. The electron affinity of F4-TCNQ (5.24 eV) is found to be equal, within ex…
The idea of synthesising polynuclear cage compounds without strictly designing the final product is an extremely productive means of producing new polymetallic cages. Some of the considerations behind this approach—termed “serendipitous assembly”—are briefly reviewed, and one project is discussed in some detail to ill…
The catalytic growth of single-wall carbon nanotubes is investigated by high-resolution transmission electron microscopy. The similarities between the samples synthesized from different techniques suggest a common growth mechanism based on a vapor-liquid-solid model. Quantum-molecular-dynamics simulations support a ro…
Biodegradable homopolyesters such as poly(butylene succinate) (PBSU) and poly(butylene adipate) (PBAD) and copolyesters such as poly(butylene succinate-co-butylene adipate) (PBSA) were synthesized, respectively, from succinic acid (SA) and adipic acid (AA) with 1,4-butanediol through a two-step process of esterificati…
The structure and magnetic properties of one-dimensional chains of representative nitroxides have been studied by a density functional model employing periodic boundary conditions. The optimized geometries are in better agreement with experiments than those obtained from optimizations of model dimeric systems. The spi…
The results of density functional theory (DFT) energy calculations and geometry optimizations for selected planar and ruffled conformers of nickel octaethylporphyrin (NiOEP) are reported. Calculated geometric parameters show remarkably good agreement with experimental X-ray crystallography data. The tendency for ruffl…
A novel hydrophobic fluorinated carbon (FC) supported Pt catalyst has been developed that shows high activity for reaction of NO x with NH 3 in the temperature range 170−275 °C. No water inhibition effect on the catalytic activity was observed with a vapor content of 4% (v/v) in the feed. A slight increase in N 2 O fo…
In this study, ozone gas mass transfer into water using a new gas-inducing reactor was investigated. The effects of various operation parameters upon the ozone volumetric mass-transfer coefficient ( k L,O 3 a ) were determined, including agitation speed, working liquid level, temperature, and superficial gas velocity…
We have developed a biphasic solvothermal synthesis for preparing hybrid inorganic−organic materials. The technique involves separation of metal and organic reactants using immiscible solvents. Crystallization takes place at the interface under solvothermal conditions. The technique has applications for promoting sing…