Materials Literature
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A new mechanism of electron paramagnetic resonance in spherical zinc-blende semiconductor nanocrystals, based on the extended orbital motion of electrons in the entire nanocrystal, is presented. Quantum confinement plays a crucial role in making the resonance signal observable. The mechanism remains operative in nanoc…
A Zr-promoted Pd/HZSM-5 catalyst, prepared by an impregnation method, was found to possess high catalytic activity as well as thermal and hydrothermal stability for low-temperature methane combustion.
Thin films of poly(styrene-b-methyl methacrylate) diblock copolymers above the bulk order-disorder transition temperature, within a certain thickness range, are structurally unstable on SiO(x)/Si substrates. They dewet autophobically, forming droplets on a self-assembled brush. We investigated the late-stage evolution…
This contribution reports the first synthesis of conducting polymers (CPs), specifically, polyaniline (PAn) and polypyrrole (PPy), in supercritical carbon dioxide (scCO2). CPs synthesized electrochemically in scCO2 were characterized with cyclic voltammetry (CV), four-point probe conductivity, scanning electron micros…
We present a theoretical study of a new class of polymer materials of much recent experimental interest: polymer networks bearing dendritic wedges in the middle of long network strands. We focus on the Rouse dynamics of such cross-linked polymers and perform our study in three steps, considering first single dendritic…
Two analytical procedures based on the time-dependent Hartree–Fock (TDHF) scheme are elaborated to evaluate the first derivatives of the dynamic first hyperpolarizability with respect to atomic Cartesian coordinates. In the first scheme, the mixed third-order TDHF equations are solved iteratively to obtain the third d…
This work presents the synthesis and characterization of SiO 2:metal (Ni, Co, Ag, and Fe) nanocomposites processed by the polymerizable complex method. The polymeric precursor solutions obtained were characterized by means of FT-Raman and 13 C NMR spectroscopy. The results show the formation of a hybrid polymer with c…
We report on a Monte Carlo study of the liquid crystal phases of two model fluids of linear elongated molecules: (a) hard spherocylinders with an attractive square-well (SWSC) and (b) purely repulsive soft spherocylinders (SRS), in both cases for a length-to-breadth ratio L*=5. Monte Carlo simulations in the isotherma…
The adsorption of thiolate radicals on the Au24 nanocluster truncated from the Au (111) surface is investigated using first principles electronic structure calculations under the density functional theory formalism. Particular emphasis is given to understanding the chemical interactions at the gold-sulfur interface. I…
Spectroscopic methods combined with density functional calculations are used to develop a detailed bonding description of the mu(4)-sulfide bridged tetranuclear Cu(Z) cluster in N(2)O reductase. The ground state of Cu(Z) has the 1Cu(II)/3Cu(I) configuration. The single electron hole dominantly resides on one Cu atom (…
The photoluminescence (PL) properties of several recently synthesized ligand-stabilized polynuclear gold(I) selenide complexes were investigated. [Au 18 Se 8 (dppe) 6 ]Br 2 {dppe = bis(diphenylphosphanyl) ethane} ( I ) is distinguished by the bright-red long-lived PL (phosphorescence) in the solid state, photosensitiz…
Catalytic formation of N2O and NO2 were studied employing density functional theory with generalized gradient approximations, in order to investigate the microscopic reaction pathways of these catalytic processes on a Pt(111) surface. Transition states and reaction barriers for the addition of chemisorbed N or chemiso…
The electronic properties of Mg-O divacancy defects at the MgO surface obtained by removing of a pair of O and Mg ions from terrace, step, or corner sites have been investigated using an embedded cluster model. Long-range polarization and lattice relaxation effects have been included through a shell model approach. It…
The mechanism for the failure of brittle materials during uniaxial compressive shockloading has been the subject of much discussion. In particular, the physical interpretation of the yield point, the Hugoniot elastic limit, remains poorly understood. It is additionally hypothesized that different materials display dif…
Interaction of ZnCl(2) with Hpko (Hpko, di-2-pyridyl-ketonoxime) results in the formation of a uninuclear Zn(Hpko)Cl(2) (1) compound or in a 12-membered tetranuclear metallacrown (OH)(2)[inv12-MC(Zn(II)N(pko))-4]Cl(2) (2) depending on the pH of the mother solution. The addition of H(3)shi (H(3)shi, salicylhydroxamic a…
Perovskites of the PbZr1−xTixO3 type are among the most important ferroelectric materials and highly active catalysts. The structural and electronic properties of PbTiO3, PbZrO3, and PbZr0.5Ti0.5O3 were examined using first-principles density-functional (DF) calculations with the local-density-approximation (LDA) or t…
Silver colloids are one of the extensively employed surface-enhanced Raman scattering (SERS) active substrates. To obtain the SERS effect, their aggregation upon addition of analyte is necessary. However, problems of instability and irreproducibility in the magnitude of the signal are caused by the formation of aggreg…
Sonochemiluminescence (SCL) of luminol due to a single bubble is studied through spectral measurement. No SCL was observed from a stable single bubble that emitted high-intensity sonoluminescence (SL). In contrast, SCL was observed under conditions of an unstable dancing bubble, where a bubble grows and ejects tiny bu…
An amphiphilic metallo-supramolecular polystyrene- block -poly(ethylene oxide) diblock copolymer containing a bis(2,2‘:6‘,2‘ ‘-terpyridine)ruthenium(II) complex (PS 20 -[Ru]-PEO 70 ) as a supramolecular connection between the two constituting blocks has been compared to the covalently bonded counterpart (PS 22 - b -PE…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTDispersion and Solubilization of Single-Walled Carbon Nanotubes with a Hyperbranched PolymerAlexander Star and J. Fraser StoddartView Author Information Department of Chemistry and Biochemistry, University of California, Los Angeles, 405 Hilgard Avenue, Los Angeles, California…