Materials Literature
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Four different hierarchical ZnO nanostructures, including nanosleeve-fishes, radial nanowire arrays, nanocombs and nanoflowers, have been successfully fabricated through thermal chemical vapour deposition by adjusting the source temperature and the gas flow rate. Field emission measurements of these nanostructures sho…
Novel silicon carbide nanostructures, beaded nanochains, are prepared from the carbothermal reduction of a carbonaceous silica xerogel with cetyltrimethylammonium bromide and lanthanum nitrate as additives. The nanochains consist of a stem with a diameter of about 50 nm and uniform beads with diameters of 100–200 nm.…
Zusammenspiel von Experiment und Theorie. Eine Kombination von Massenspektrometrie und Dichtefunktionalrechnungen belegt, dass [V4O10]+ als erstes mehrkerniges Übergangsmetalloxid in der Lage ist, Methan schon bei Raumtemperatur zu aktivieren (siehe Abbildung). Das [V4O10]+-Kation kann als prototypisches Beispiel für…
Magnesium and its alloys have shown a great potential in effective hydrogen storage due to their advantages of high volumetric/gravimetric hydrogen storage capacity and low cost. However, the use of these materials in fuel cells for automotive applications at the present time is limited by high hydrogenation temperatu…
Dissipative Particle Dynamics (DPD) simulations of wall-bounded flows exhibit density fluctuations that depend strongly on the no-slip boundary condition and increase with the level of coarse graining. We develop an adaptive model for wall-particle interactions that eliminates such oscillations and can target prescrib…
Polarization dynamics and formation of polar nanoregions (PNR) in relaxor ferroelectrics is considered within a model of interacting short range polar clusters formed by off-center ions in highly polarizable materials. The model is applicable on the mesoscopic level and takes explicitly into account the distribution o…
A non-conjugated polymeric poly(acrylic acid) (PAA) is shown to efficiently form a stable composite with multi-walled carbon nanotubes (MWNTs). The prepared PAA-wrapped MWNTs composite is readily soluble and stable in water. The PAA–MWNTs composite exhibits interesting optical properties. FT-IR spectra show that the c…
Woven into place: By precisely controlling the neutralization degree of the anionic surfactant template, mesoporous silica with different structures was prepared, such as AMS-10. Detailed characterizations of AMS-10 show that it is a novel bicontinuous cubic Pnm mesophase. The mesostructure is composed of an interwove…
Abstract Large, colorless aggregates are observed during the induction period of a chemical oxidative polymerization of aniline in dilute aqueous acids using an ammonium peroxydisulfate oxidant. Observed for the first time by static and dynamic light‐scattering (LS) measurements, these aggregates are believed to be an…
A facile and efficient aqueous phase-based strategy to synthesize carbon nanotube (CNT)/silver nanocrystal nanohybrids at room temperature is reported. In the presence of carboxyl group functionalized or poly(acrylic acid)- (PAA-) grafted CNTs, silver nanoparticles were in situ generated from AgNO 3 aqueous solution,…
Derivatives of relatively electron rich 1,5-dialkoxynaphthalene (Dan) donors and relatively electron deficient 1,4,5,8-naphthalenetetracarboxylic diimide (Ndi) acceptors have been exploited in the folding and self-assembly of a variety of complex molecular systems in solution. Here, we report the use of Dan and Ndi de…
Electrodeposition of RuO 2 on electrospun TiO 2 nanorods using cyclic voltammetry is shown to increase the capacitance of RuO 2 . This phenomenon can be attributed to the large surface areas of the nanorods. Among several ranges of deposition, the range from 0.25 to 1.45 V with respect to Ag/AgCl was effective. The el…
Organic−inorganic hybrid hydrotalcite-like compounds containing Zn 2+ and Al 3+ in the brucite-like layers (nominal Zn:Al molar ratios of 2:1, 3:1, and 4:1) and lactate (Lc) as counteranion were synthesized by coprecipitation using 0:1 and 3:1 lactic acid:Al molar ratios to prepare the starting solutions. Their physic…
N-Boc-protected alkynylamines are converted into the corresponding alkylidene 2-oxazolidinones or 2-oxazinones under very mild reaction conditions in the presence of 1-5 mol % of a cationic Au(I) complex. The scope of the reaction is very general, providing the cyclic carbamates in high yield regardless of the substit…
We have studied the influence of magnetic order on the optical phonons of the geometrically frustrated spinel ZnCr2O4 within density-functional theory. By mapping local spin density approximation plus Hubbard U (LSDA + U) phonon calculations onto a Heisenberg-like model, we developed a method to calculate exchange der…
The recently developed Nonrandom Two-Liquid Segment Activity Coefficient (NRTL−SAC) model [reported by Chen and Song, Ind. Eng. Chem. Res . 2004, 43, 8354] offers a practical thermodynamic framework to predict drug solubility in a wide range of solvents, based on a small initial set of measured solubility data. The mo…
[reaction: see text] Click chemistry has been successfully applied in the synthesis of a bay region tetraboron-dipyrrin (BODIPY) appended perylenediimide (PDI). This light-harvesting molecule presents a large cross section for the absorption of light in the visible region. Excitation energy is efficiently channeled to…
We study phonon-induced relaxation of quantum states of a particle (e.g., electron or proton) in a rigid double-well potential in a solid. Relaxation rate due to Raman two-phonon processes have been computed. We show that in a two-state limit, symmetry arguments allow one to express these rates in terms of independent…
Spin-phonon relaxation due to two-phonon processes of a spin cluster embedded in an elastic medium has been studied. For the case of uniaxial anisotropy, relaxation rates due to Raman processes and processes involving the emission of two phonons have been obtained. For a biaxial spin Hamiltonian, the rates of transiti…
We propose a model with few parameters for vacancy-induced ferromagnetism based on a correlated model for oxygen orbitals with random potentials representing cation vacancies. For certain potentials, moments appear on oxygen sites near defects. Treating the randomness exactly, we calculate the magnetic couplings betwe…