Materials Literature
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The polymeric ten-coordinate rare earth metal (RE) complex with nta, {[EuIII(C-nta)(T-nta)] · 3H2O} n , has been synthesized in aqueous solution and characterized by FT-IR, elemental analyses, TG-DTA and single-crystal X-ray diffraction technique. The {[EuIII(C-nta)(T-nta)] · 3H2O} n crystallizes in the cubic system w…
Three dimeric rare-earth complexes [Eu(p-FBA)3(phen)(H2O)]2 (1), [Tb(p-FBA)3phen]2 (2), and [Tb(o-FBA)3phen]2 (3) (where p-FBA = p-fluorobenzoate, o-FBA = o-fluorobenzoate, phen = 1,10-phenanthroline) were synthesized and structurally characterized. All are neutral dimeric molecules. Complex 1 crystallizes in triclini…
Poly(allylamine) hydrochloride is a weak cationic polyelectrolyte that exhibits different aggregation properties at different solution pH values and aging times. Specifically, after several days aging in a pH 3 buffer, less than 1 mg/mL poly(allylamine) hydrochloride became turbid, and the hydrodynamic radius increase…
摘要：
We study the general problem of mixing for ab-initio quantum-mechanical problems. Guided by general mathematical principles and the underlying physics, we propose a multisecant form of Broydens second method for solving the self-consistent field equations of Kohn-Sham density functional theory. The algorithm is robust…
We clarify the origin of anomalous tunneling [Yu. Kagan et al. Phys. Rev. Lett. 90 (2003) 130402] i.e. the perfect transmission at low energy limit of tunneling of phonon excitations across the potential barrier separating two Bose condensates. The perfect transmission is a consequence of the coincidence of the wave f…
Abstract Raman scattering measurements were conducted for 4-nitrobenzenethiol (4-NBT) assembled on gold μ-powders sparsely dispersed on smooth silver substrates. The SERS signals of 4-NBT were enhanced by using smooth Ag substrates caused by electromagnetic coupling of the surface plasmon polaritons of μAu powders and…
Molecular dynamics simulations were carried out to investigate the structural properties and the structure related optical properties of a pyrene-functionalized film and also the film in the presence of nitrobenzene. It has been shown that at equilibrium (1) the pyrene molecules of the film, of which the fluorophore m…
Abstract Treatment of a S-bridged CoIIIAuICoIII trinuclear complex [1]3+, newly prepared from ΔL-[Co(l-cys-N,S)(en)2]+ and AuI, with MnCl2 gave a 1D (CoIII2MnIIAuI)n polymeric complex, in which two carboxylate groups of [1]3+ bind to two MnCl2 moieties. On the other hand, a discrete CoIII2MnIIAuI tetranuclear complex,…
The zone-center phonon spectra of phase-I ammonia and deuterated ammonia have been obtained from plane-wave DFT molecular dynamics and localized basis set harmonic lattice dynamics simulations. These data have proved to be excellent for benchmarking the two approaches. Significant changes to the assignments of the exp…
Interactions between sodium montmorillonite (Na-MMT) and a variety of probes, some of which are intended to model components of a polyurethane system, have been studied. Particular attention was given to the effect of preadsorbed water on the adsorption behavior of the probes. Flow microcalorimetry (FMC), diffuse refl…
The Ruddlesden–Popper series of compounds Ca 4 Mn 3− x Nb x O 10 ( x = 0–0.2) have been prepared by solid-state methods. Structural, magnetic, electrical, and magnetoresistive studies were performed on the compounds. Nb doping caused increases in both unit cell volume and octahedral distortion. The magnetization measu…
Cutinase from Fusarium solani pisi was encapsulated in sol−gel matrixes prepared using combinations of tetramethoxysilane and monoalkyl-methoxysilane precursors with different chain lengths (from methyltrimethoxysilane to n -octyltrimethoxysilane), in molar proportion of 1 to 5. The specific activity of the encapsulat…
Janus nanoparticles, characterized by their anisotropic structure and interactions, have added a new dimension to nanoscience because of their potential applications in biomedicine, sensors, catalysis, and assembled materials. The technological applications of these nanoparticles, however, have been limited as the cur…
Single wall carbon nanotubes (SWNTs) dispersed in aqueous medium by the use of DNA are separated by size using a size exclusion chromatographic (SEC) column. On-line measurements are made of SWNT concentration, molar mass, and size using UV−vis absorption detection and multi-angle light scattering (MALS). Molar mass a…
Epitaxially coherent Au x Cu 1 - x −Cu 2 O biphase nanoparticles ( x = 0.83) were grown in free space by oxidizing Au y Cu 1 - y alloy nanoparticles ( y = 0.46) above their melting temperature. Electron-microscopic studies revealed that Au 0.83 Cu 0.17 and Cu 2 O dome-shape nanocrystals are conjunct via a (110) hetero…
Active catalysts for the water−gas shift (WGS, CO + H 2 O → H 2 + CO 2 ) reaction were synthesized from nickel molybdates (β-NiMoO 4 and n H 2 O·NiMoO 4 ) as precursors, and their structural transformations were monitored using in situ time-resolved X-ray diffraction and X-ray absorption near-edge spectroscopy. In gen…
A wide range of inorganic nanoporous films with vertical pores spanning the entire film thickness has been fabricated by using of nanopillar structure formed from polystyrene-block-poly(methyl methacrylate) copolymer as a template.
Hollow carbon nanospheres (abbreviated as “HCSs”) with a yield of about 90% under transmission electron microscope and scanning electron microscopy observations have been synthesized through a facile approach using acetone and sodium azide as reactants at 400 °C in a sealed autoclave. These HCSs have an outer diameter…
Three different models of AgI are studied by molecular dynamics simulations. The first one is the rigid ion model (RIM) with the effective pair potential of the Vashishta and Rahman form and the parametrization proposed by Shimojo and Kobayashi. The other two are polarizable ion models in which the induced polarizatio…