Materials Literature
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Non-adiabatic effects play an important role in many chemical processes. In order to study the underlying non-adiabatic potential-energy surfaces (PESs), we present a locally-constrained density-functional theory approach, which enables us to confine electrons to sub-spaces of the Hilbert space, e.g. to selected atoms…
We provide evidence that high-pressure high-temperature (2.5 GPa and 1040 K) treatment of mixtures of iron with fullerene powders leads to the complete transformation of iron into iron carbide Fe$_3$C. The comparison of the magnetic properties (Curie temperature and magnetic moment) of the here studied samples and tho…
ZnO doughnutlike cluster particles were prepared by a simple solvothermal route using an ethylene glycol (EG)−water solvent system. It was observed that ZnO doughnuts were obtained when an equal or higher volume fraction of EG was used in the solvent. Microstructural studies revealed that these doughnut-shaped particl…
The hydrolysis of polyethylene terephthalate (PET) fibers by two fungal hydrolases was investigated. The hydrolase from a newly isolated Fusarium oxysporum strain (LCH 1) was more efficient in releasing terephthalic acid from PET fibers compared to the enzyme from F. solani f. sp. pisi DSM 62420 when equal amounts of…
In situ X-ray absorption spectroscopy combined with on-line catalytic measurements using FT-IR spectroscopy unequivocally identified that metallic palladium is the more active phase in the aerobic oxidation of benzyl alcohol than palladium oxide. The aerobic oxidation of benzyl alcohol in cyclohexane at 50 degrees C w…
Hierarchical ZnS structures with different sizes have been successfully prepared by a facile one-step method. By modulating the experimental parameters, we were able to fabricate hierarchical zinc sulfide (wurtzite) assembled structures with average sizes of 30, 200, and 400 nm on a large scale. Systematic experiments…
The self-assembly of sterically stabilized colloidal copper sulfide nanodisks, 14-20 nm in diameter and 5-7 nm thick, was studied. The nanodisks were observed by electron microscopy and small-angle X-ray scattering to form columnar arrays when evaporated as thin films from concentrated dispersions. These superstructur…
ElectroChemical Scanning Tunneling Microscopy (ECSTM) is gaining popularity as a tool to implement proof-of-concept single (bio)molecular transistors. The understanding of such systems requires a discussion of the mechanism of the electrochemical current gating, which is intimately related to the electrostatic potenti…
The primitive model of ionic systems is investigated within a field-theoretic description for the whole range of size-, λ, and charge, Z, ratios of the two ionic species. Two order parameters (OP) are identified, and their relations to physically relevant quantities are described for various values of λand Z. Instabil…
Silkworm silk has outstanding mechanical properties despite being spun at room temperature and from aqueous solution. Although it has been proposed that fiber formation is mainly induced by shearing and extensional flow in the spinneret, the detailed structure and function of the spinning apparatus of Bombyx mori silk…
Abstract The instrumentation for synchrotron radiation X‐ray photoemission electron microscopy (XPEEM) has recently undergone significant improvements, finding application in diverse fields such as magnetism, chemistry, surface science and nanostructure characterization. The spectroscopic photoemission and low energy…
We study by extensive Monte Carlo (MC) simulations and analytical Green function (GF) method effects of frustrated surfaces on the properties of thin films made of stacked triangular layers of atoms bearing Heisenberg spins with an Ising-like interaction anisotropy. We suppose that the in-plane surface interaction $J_…
Bulk ferromagnetic amorphous Fe-Ni-P-B alloys in rod shape were formed by a rapid solidification technique. The largest amorphous specimen prepared had a diameter of ~2.5 mm and the corresponding cooling rate for the glass formation of this alloy system in our experiment can be estimate to be around 492.4 K/s by the m…
The formation energies and electronic structure of native defects in tin monoxide are investigated by first-principles calculations. Equilibrium defect concentrations, which are obtained using the calculated formation energies and charge neutrality, indicate that the tin vacancy is the dominant defect under oxygen-ric…
Alpha-chitin was isolated from shrimp shells. The chitin was subjected to extensive treatments of acid hydrolysis and mechanical disruption to yield nanocrystals. The goal of this article is to characterize alpha-chitin nanocrystals produced from shrimp shells in regard to crystallite properties and the specific surfa…
Individualized, chemically pristine single-walled carbon nanotubes have been intravenously administered to rabbits and monitored through their characteristic near-infrared fluorescence. Spectra indicated that blood proteins displaced the nanotube coating of synthetic surfactant molecules within seconds. The nanotube c…
Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
The state of the art of electrodynamics of new composite media—metamaterials—is reviewed. The composites in the form of a periodic lattice of identical elements, which are in essence artificial crystals with characteristic scales of the internal structure from several centimeters to several hundred nanometers are cons…
A novel sol-gel autocombustion process was used to synthesize ultrafine powders of nickel ferrite. This powder was prepared from metal nitrates and citric acid. The combustion process is an oxidation-reduction reaction in which the NO 3 − ion is the oxidant and the carboxyl group is the reductant. The results revealed…
The incommensurately modulated structure of the isotropic lazurite Na6.41Ca1.36K0.04(Si6.09Al5.91)O24(SO4)1.73Cl0.17 from the Baĭkal region is solved in the (3 + 3)-dimensional symmetry group P23(γγ0) [where γ = 0.2154(1)] with the basic unit cell parameter a = 9.077(1) Å. The structure is refined to R 0 = 0.04 for th…