Materials Literature
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▪ Abstract This review focuses on the preparation of capped nanoparticles of inorganic materials, classified by composition. The materials described include elemental metals and metalloids (semiconductors), chalcogenide II–VI and IV–VI semiconductors, III–V semiconductors, and oxides (both of simple- and multitransiti…
▪ Abstract The unusual structure and properties of carbon nanotubes are presented, with particular reference to single-wall nanotubes (SWNTs) and nanotube properties that differ from those of their bulk counterparts. The atomic structure; electronic structure; and vibrational, optical, mechanical, and thermal properti…
Systematic shape evolution of gold nanocrystals with sizes between 100 and 300 nm was observed in a modified polyol process. By adding a surface-regulating polymer and foreign ions, one can readily access the distinct shapes of tetrahedron, cube, octahedron, and icosahedron (dubbed platonic nanocrystals, see picture)…
Abstract Corrosion products were examined from typical pewter artifacts originating from six different submerged archaeological sites, dating to between ca. A.D. 1550 and 1733, along the eastern seaboard of North America and in the Caribbean Sea. The artifacts were viewed as 270–450‐year long experiments revealing the…
The thermodynamic and structural properties of purely repulsive hard-core Yukawa particles in the fluid state are determined through Monte Carlo simulation and modeled using perturbation theory and integral equation theory in the mean spherical approximation (MSA). Systems of particles with Yukawa screening lengths of…
Abstract The production of high‐solid‐content, low‐viscosity latexes is an active field in both industry and academia. The viscosity of polymer dispersions has a clear dependence on the particle size distribution (PSD). An example is the rule of thumb that a bimodal PSD enables the reduction of the viscosity with resp…
Diffusion of vacancies and impurities in metals is important in many processes occurring in structural materials. This diffusion often takes place in the presence of spatially rapidly varying stresses. Diffusion under stress is frequently modelled by local approximations to the vacancy formation and diffusion activati…
Local density and generalized gradient approximation time-dependent density functional methods have been used for calculation of the singlet and triplet excited states of nickel-porphine, Ni-tetraphenyloporphine, and Ni-octaethyloporphyrine. Special attention is paid to metal-ligand transitions and d-d transitions. It…
Self-organized pyramidal structures (quadratic or hut-cluster type) of ferrimagnetic spinel ${\text{CoCr}}_{2}{\mathrm{O}}_{4}$ (CCO) are grown by deposition from vapor phase on ${\text{MgAl}}_{2}{\mathrm{O}}_{4}(001)$ substrates. The surfaces of the structures, forming an angle $\ensuremath{\Theta}\ensuremath{\approx…
Most manganites exhibiting colossal magnetoresistant properties are structurally very simple. They are based on a perosvskite structure with the general formula . The electric and magnetic properties strongly depend on the composition (A, A', x ) and eventually on the exact oxygen content. These changing properties ar…
The structure of diblock copolymer melts under a single external electric or shear field, as well as under combined orthogonal external fields was investigated using a cell dynamic system. The phase structure was determined by coupling the effects of the external fields with the original structure of the bulk free of…
Abstract With the anionic precursor [(Tp)Fe III (CN) 3 ] − [ 1 ; Tp: hydrotris(pyrazolyl)borate] as a building block, two trinuclear complexes, [(Tp) 2 Fe III 2 (CN) 6 Mn(CH 3 OH) 4 ]·2CH 3 OH ( 2 ), [(Tp) 2 Fe III 2 (CN) 6 Ni(cyclam)]·2H 2 O ( 3 ; cyclam: 1,4,8,11‐tetraazacyclotetradecane) and a one‐dimensional polym…
AIMS: The aims of this work were to (i) use a bacteriocin produced by Lactobacillus curvatus 32Y active against Listeria monocytogenes to activate polythene films by different methods, (ii) implement a large-scale process for antilisterial polythene films production and (iii) verify the efficacy of the developed films…
We examine the vibrational stability of three candidate structures for the B24N24 cage and report their infra-red (IR) and Raman spectra. The candidate structures considered are a round cage with octahedral O symmetry, a cage with S_4 symmetry that satisfies the isolated square rule, and a cage of S_8 symmetry, which…
We present a method for density-functional modeling of metallic overlayers grown on metallic supports. It offers a tool to study nanostructures and combines the power of self-consistent pseudopotential calculations with the simplicity of a one-dimensional approach. The model is applied to Pb layers grown on the Cu(111…
We describe theoretically the process of multi-beam reflection in a two-dimensional electron system with a lateral potential barrier. Due to spin-orbital interaction, the reflection process leads to the formation of three beams with different spin polarizations. The efficiency of spin conversion can become small for s…
We report the influence of external pressure (P= up to 8 GPa) on the temperature dependence of electrical resistivity of a Yb-based Kondo lattice, YbPd2Si2, which does not undergo magnetic ordering under ambient pressure condition. There are qualitative changes in the temperature dependence of electrical resistivity d…
In this work the mechanism of Li insertion/intercalation in the anode materials InSb and Cu$_2$Sb is investigated by means of the first principles total energy calculations. The total charge densities for the lithiated products of the two compounds are presented. Based on these results the change in the bonding charac…
We present an exact solution for electronic Raman scattering in a single-band, strongly correlated material, including nonresonant, resonant and mixed contributions. Results are derived for the spinless Falicov-Kimball model, employing dynamical mean field theory; this system can be tuned through a Mott metal-insulato…
The combination of Finite Element Method (FEM) simulation and experimental photo-elasticity provides both qualitative and quantitative information about the stress field in a polymer composite and particularly along the fibre-matrix boundary. Investigations were made using model specimens containing up to five paralle…