Materials Literature
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The linear combination of atomic potentials (LCAP) approach is implemented in the AM1 semiempirical framework and is used to design molecular structures with optimized properties. The optimization procedure uses property derivative information to search molecular space and thus avoid direct enumeration and evaluation…
Direct excitation of acenaphthylene molecules included in a syn fashion within the octa acid nanocapsule dimerizes quantitatively to a syn dimer, and upon triplet sensitization, yields both syn and anti dimers probably by reacting within and outside the capsule.
We have synthesized the antiperovskite compound $\mathrm{Al}\mathrm{C}{\mathrm{Ni}}_{3}$ and performed a detailed study of its basic properties. The magnetic properties show that $\mathrm{Al}\mathrm{C}{\mathrm{Ni}}_{3}$ is a strongly exchange-enhanced Pauli paramagnet in the very vicinity of ferromagnetic order. The l…
A detailed study of the influence of pH on the hydrogen-bonding layer-by-layer (LBL) assembly film constructed from poly(vinylpyrrolidone) (PVPON) and poly(acrylic acid) (PAA) was carried out. It was found that the LBL assembly process of a PVPON-PAA film is very sensitive to pH. pH 4.0 is the critical value for film…
We study the effective pair interaction potentials and the resulting phase behavior, percolation transitions of nanorods dispersed in solutions of adsorbing polymers. We use polymer self-consistent-field theory in conjunction with the Derjaguin approximation to compute the polymer-mediated orientation-dependent pair i…
In 2 S 3 micropompons composed of randomly oriented flakes of ∼10 nm thickness were synthesized in high yield by a facile hydrothermal process. When the product was thermally oxidized at 600 °C, single crystalline well-faceted body-centered cubic (bcc) In 2 O 3 bipyramids of sizes between 50 and 300 nm were obtained.…
Magnetic Fe nanoparticle functionalized water-soluble multi-walled carbon nanotubules (MWNTs) were prepared, characterized and used for the removal of aromatic compounds in water and re-use.
The crystallization pathway of indium tin oxide nanoparticles during solvothermal synthesis in benzyl alcohol was investigated. The synthesis was stopped after different reaction times in the range of 1-24 h, and the structural and morphological characteristics of the products were analyzed by powder X-ray diffraction…
We have studied crystallization in poly(ethylene oxide) droplets with volumes ranging over several orders of magnitude. In all samples, homogeneous nucleation is observed, scaling with the volume of the droplet, down to systems with as few as approximately 10 polymer chains. Surprisingly, nucleation is unaffected by t…
A series of MgAl hydrotalcites (HTs) were synthesized by a sol−gel procedure with ethanol, 2-propanol, and 1-butanol as solvents. Particular attention was paid to controlling hydrolysis reactions by means of using a substoichiometric H 2 O/Al molar ratio equal to 1. The sol−gel HTs were characterized by means of therm…
By comparing data on a variety of examples, an empirical correlation for the photoelastic response of simple metal oxides is discovered and used to predict new families of zero-stress optic glasses. The birefringence induced by uniaxial stress on glass is found to correlate well with the ratio of the metal oxygen bond…
The energetic stability of diamond (100) surfaces, as a function of degree of hydrogen- and oxygen-related termination, has been studied theoretically using ab initio density functional theory. The results show that an exchange of hydrogen adsorbates with hydroxyl groups is slightly disfavored, whereas a corresponding…
Abstract The microwave‐assisted statistical copolymerization of 2‐phenyl‐2‐oxazoline with 2‐methyl‐2‐oxazoline or 2‐ethyl‐2‐oxazoline is discussed in this contribution. Kinetic studies of these statistical copolymerizations as well as reactivity ratio determinations were performed to investigate the monomer distributi…
Iron(II) triazolate coordination polymers with lipophilic sulfonate counterions with alkyl chains of different lengths have been synthesized. In hydrocarbon solvents, these polymers formed a physical gel and showed a thermoreversible spin transition upon the sol-gel phase transition. The formation of a hydrogen-bondin…
Quantum chemical studies of the dissociative adsorption mechanisms and kinetics of OH x ( x = 1, 2) on graphite (0001) surface models were carried out with emphasis on the influence of surface defects. Finite-size model systems for Stone−Wales type ( SW ), mono- ( 1V ), and divacancy ( 2V ) defects are studied in addi…
By using angle-resolved colloidal lithography and O2-plasma etched bilayers of hexagonally packed spheres as templates, we succeeded in fabrication of highly ordered binary arrays of gold nanoparticles with varied shapes, for instance, with a shuttlecock-like shape composed of a small crescent-shaped nanoparticle and…
Trivalent rare-earth (RE = La, Pr, Nd, Y)-doped Ce x Zr 1- x O 2 ( x = 0.4−0.6) solid solutions were synthesized via a urea hydrolysis-based hydrothermal method, followed by calcination at 1000 °C for 100 h. The X-ray absorption near-edge structure (XANES) tests for the Ce LIII edge determine that the chemical valence…
Polyhydroxyalkanoates (PHAs) can be catabolized by many microorganisms using intra- or extracellular PHA depolymerases. Most of our current knowledge of these intracellular enzyme-coding genes comes from the analysis of short chain length PHA depolymerases, whereas medium chain length PHA (mcl-PHA) intracellular depol…
Abstract The in situ grafting‐from approach via atom transfer radical polymerization was successfully applied to polystyrene, poly(styrene‐ co ‐acrylonitrile), and polyacrylonitrile grafted onto the convex surfaces of multiwalled carbon nanotubes (MWCNTs) with (2‐hydroxyethyl 2‐bromoisobutyrate) as an initiator. Therm…
Poly(L-lactide) (PLLA)/polyethylene glycol (PEG) mixed solutions were successfully electrospun into micro-or nanofibrous polymer mats. The fiber diameter was in the range 100nm-6μm. The effect of the concentration of the spinning solutions and the ratio of PLLA/PEG on the fiber diameter and morphology was investigated…