Materials Literature
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Energy landscape mappings are performed for two different molecular systems under mechanical loads. Barrier heights are observed to scale as $ΔU\simδ^{3/2}$, where $δ$ is a residual load. Catastrophe theory predicts that this scaling should arise for vanishing $δ$, however, this region is irrelevant in physical proces…
We present density-functional theory (DFT) and quantum Monte Carlo (QMC) calculations designed to resolve experimental and theoretical controversies over the optical properties of H-terminated C nanoparticles (diamondoids). The QMC results follow the trends of well-converged plane-wave DFT calculations for the size de…
Heterometallic molecular chromium wheels are fascinating new magnetic materials. We reexamine the available experimental susceptibility data on MCr7 wheels in terms of a simple isotropic Heisenberg Hamiltonian for M=Fe, Ni, Cu, and Zn and find in that FeCr7 needs to be described with an iron-chromium exchange that is…
Static susceptibility of kappa-[(BEDT-TTF)1-x(BEDSe-TTF)x]2Cu[N(CN)2]Br alloys with the BEDSe-TTF content near the border-line of ambient pressure superconductivity (x~0.3) has been measured as a function of temperature, magnetic field, and pressure. A non-monotonic pressure dependence is observed for both the superco…
Aligned arrays of ultrathin, high-quality ZnO nanotubes (see Figure) have been synthesized via hydrothermal growth methods on Si that has been pre-coated with a thin film of ZnO. The nanorods are single-crystalline, with typical wall thicknesses and outer diameters of 5–15 and 20–40 nm, respectively. Annealing the arr…
Photoactivated template-based synthesis of fluorescent Ag nanoclusters in the interior of microgel particles has been demonstrated. Photoluminescence intensity and emission wavelength varies with the time of photoactivated synthesis. Optical properties of the photogenerated Ag nanoclusters strongly depend on the acidi…
Line integral forms for the elastic field of dislocations in anisotropic, multilayer materials are developed and utilized in Parametric Dislocation Dynamics (PDD) computer simulations. Developed equations account for interface image forces on dislocations as a result of elastic modulus mismatch between adjacent layers…
The use of metal 2D subwavelength structures (SWSs) is a promising solution for all those applications where a selective emission from a thermal source is desirable, e.g., photovoltaic and blackbody emission. The investigation of the SWS's photonic bandgap properties is challenging, especially for the infrared and vis…
Halopyrroles, N-substituted 2-halopyrroles were prepared by halogenation of N-substituted pyrroles with NBS, NCS, or surfuryl chloride. N-Substituted 3-halopyrroles were synthesized by acid-catalyzed thermal and photochemical isomerization reactions of N-substituted 2-halopyrroles. Both the thermal and photochemical r…
The intense research activity in the field of nanoparticles is motivated by the search for new materials in order to further miniaturize electronic devices, as well as by the fundamental question of how molecular electronic properties evolve with increasing size in this intermediate region between molecular and solid-…
The Ln(III) complexes with picrate ligand, <TEX>$[Sm(Pic)_2(H_2O)_6]Pic{\cdot}6H_2O$</TEX>, 1, and <TEX>$[Ho(Pic)(H_2O)_7](Pic)_2{\cdot}3H_2O$</TEX>, 2, have been synthesized and their crystal structures are analyzed by X-ray diffraction methods. Complex 1, crystallizes in the monoclinic <TEX>$P2_1/n$</TEX> space grou…
In the second part of our study, a rigorous mathematical model was developed and simulated using Parsival for the gas antisolvent recrystallization process using phenanthrene−toluene−carbon dioxide as a model system, This model accounts for the governing physical phenomena, i.e., the thermodynamics of near-critical so…
Mesoporous solid solutions of anatase-based titanium-vanadium oxides were synthesized from aqueous solutions. The V/Ti ratio was determined by the composition of the deposition solution, while the morphology and nanoscale porosity were controlled using micelles of the surfactants cetyltrimethylammonium bromide (CTAB),…
Large-quantity single-crystal SnO(2) nanowires coated with quantum-sized ZnO nanocrystals (nc-ZnO/SnO(2) nanowires) were directly synthesized by thermal evaporation of SnO powder and a mixture of basic ZnCO(3) and graphite powders. A common stainless steel mesh was used to collect the products. The microstructure and…
In this study the micronization of phenanthrene from toluene was studied using the gas antisolvent (GAS) recrystallization process. A systematic investigation of the influence of the key GAS process parameters, antisolvent addition rate (1, 20, 50, and 100 mL/min), temperature (25, 45, 55, and 65 °C), solute concentra…
In this work, we report the synthesis and characterization of a series of hexagonal nanostructured platinum/tin/tellurium inorganic/surfactant composites. The composites are formed through solution-phase self-assembly of SnTe4(4-) Zintl clusters, which are cross-linked with platinum salts in the presence of a cetyltri…
Physicochemical properties and compositions of KxH(3-x)PW12O40 salts, where 2 < or = x < or = 3, have been investigated. It has been found that freshly prepared K2HPW12O40 salt (drying at 313 K) contains particles of heteropolyacid and particles of the neutral potassium salt, the sample being in 78.6% amorphous. On ag…
The concept of reverse templating of an organogel to form imprinted porous divinylbenzene polymer films with submicrometer channels is demonstrated. The organogel comprising a 1:1 molar ratio of two organogelators, that is, bis(2-ethylhexyl) sodium sulfosuccinate and 4-chlorophenol, was formed in divinylbenzene. The g…
The extinction spectra of five silver equilateral triangle plates with a fixed thickness of 10 nm and side lengths of 50, 100, 150, 200 ,and 250 nm, respectively, have been simulated by the discrete dipole approximation (DDA) method in which a geometric object of interest is meshed and represented by a lattice of spat…
Abstract Different M–MCM-41 materials (M = Ti, V, Cr, Mn, Co, Ni, Zr, Cu, Nb, Ce, Sn, and Mo) were synthesised and characterized and the incorporation of metal ions on the silica surface also confirmed by FTIR analysis based on their ionic sizes.