Materials Literature
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Pair distribution function analysis (PDF) of X-ray diffraction data, collected at 11-IDC and 1-ID at the Advanced Photon Source, provides the atomic structure and primary crystallite size of FeS both freshly precipitated (FeS fresh ) and aged (FeS aged ). The short- to medium-range structure of both FeS fresh and FeS…
CdS nanocrystals with cubic, triangular, and hexagonal geometries have been synthesized using simple wet-chemistry techniques. Analysis of the crystal structures revealed that the cubic nanocrystals have a zinc-blende crystal structure whilst the triangular and hexagonal CdS nanocrystals have a wurtzite crystal struct…
A hydrating–exfoliating–splitting model is proposed to explain the formation of V2O4·0.25H2O nanowires from raw V2O4 particles (see Figure). In this synthetic route, only the raw material and water are used to synthesize the crystallized nanowires—no templates or reactants are introduced into the reaction system.
A perylene-3,4:9,10-bis(dicarboximide)-based electron donor−acceptor monomer was designed to self-assemble using the synergistic effects of π−π stacking, microsegregation, and hydrogen bonding. The resulting aggregates were characterized in solution by small-angle X-ray scattering (SAXS), while the solid-state structu…
Giving directions: Microspheres are decorated with a defined number of Au nanodots by using O2-plasma-etched colloidal crystals as masks for the deposition of Au vapor (see picture). The Au nanodots deposited on the spheres might be considered as nanoscale analogues of sp-hybridized atomic orbitals, which may be used…
Nanostructures with tunable size and shapes are produced using a charge-transfer complex, copper tetracyanoquinodimethane (CuTCNQ). Surfaces can be coated with the charge-transfer complex nanoparticles (see Figure). These superhydrophobic coatings may be useful for constructing water/moisture-resistant and contaminati…
Shedding light: Efficient activation of cyclic nucleoside monophosphates (cNMPs) can be achieved upon one- and two-photon flash photolysis of novel photolabile coumarinylmethyl esters of cAMP and cGMP (A=adenosine, G=guanosine) as well as their 8-bromo-substituted derivatives. The phototriggers show high solubility in…
First principles calculations using density functional theory with corrections for on-site Coulomb interactions (DFT + U) are presented in which we compute the energy for the conversion of CO to CO(2), NO(2) to NO and NO to N(2) over ceria surfaces. The surface sensitivity is discussed on the basis of the vacancy form…
A series of poly(acetoxystyrene- co -octavinyl-polyhedral oligomeric silsesquioxane) (PAS−POSS) hybrid nanocomposites were synthesized by free radical polymerization and characterized by FTIR, 1 H NMR, GPC, DSC, and TGA technologies. The POSS contents in these nanocomposites were calculated on the basis of FTIR data.…
The effects of nitrogen source, temperature, and light level on transcription of five genes from three pathways of carbon and nitrogen metabolism were determined for the centric diatom Thalassiosira pseudonana (Hustedt) Hasle et Heimdal. The targeted genes were NR (nitrate reductase) and GSII (glutamine synthetase II)…
Spin-crossover (SCO) complexes based on three-dimensional coordination polymers (see Figure) exhibit unprecedented pressure-tunable thermal and piezochromic bistability at room temperature. The thermal- and piezohysteresis loops of the material can be tuned, providing a step towards reliable pressure-based memory syst…
The results of a theoretical study on the point defects of monoclinic $\ensuremath{\beta}\text{\ensuremath{-}}{\mathrm{Ga}}_{2}{\mathrm{O}}_{3}$ are reported here. The point defects considered here are vacancies, interstitials together with dopant ions such as Be, Mg, In, Cr, Si, Ge, Sn, and Zr. Since the low symmetry…
Angular perturbations modify the band structure of armchair (and other metallic) carbon nanotubes by breaking the tube symmetry and may induce a metal-semiconductor transition when certain selection rules are satisfied. The symmetry requirements apply for both the nanotube and the perturbation potential, as studied wi…
We derive the fractional generalization of the Ginzburg-Landau equation from the variational Euler-Lagrange equation for fractal media. To describe fractal media we use the fractional integrals considered as approximations of integrals on fractals. Some simple solutions of the Ginzburg-Landau equation for fractal medi…
To look for high energy density materials (HEDM), the relationships between the structures and the performances of polynitroadamantanes (PNAs) were studied. The assigned infrared spectra of PNAs obtained at the density functional theory (DFT) B3LYP/6-31G level were used to compute the thermodynamic properties on the b…
Synthetic oligopeptides containing redox-active tyrosine residues have been employed to prepare gold and silver nanoparticles. In this reduction process an electron from the tyrosinate ion of the peptide is transferred to the metal ion at basic pH through the formation of a tyrosyl radical, which is eventually convert…
We investigate the ionization and the opacity of warm, dense helium under conditions found in the atmospheres of cool white dwarf stars. Our particular interest is in densities up to $\rm 3 g/cm^{3}$ and temperatures from 1000K to 10000K. For these physical conditions various approaches for modeling the ionization equ…
We use the Renormalization Group method to study the magnetic field influence on the Bose-Einstein condensation of interacting dilute magnons in three dimensional spin systems. We first considered a model with SU(2) symmetry (universality class $z=1$) and we obtain for the critical magnetic field a power law dependenc…
We report a systematic investigation of both three-photon absorption (3PA)spectra and wavelength dispersions of Kerr-type nonlinear refraction in wide-gap semiconductors. The Z-scan measurements are recorded for both ZnO and ZnS with femtosecond laser pulses. While the wavelength dispersions of the Kerr nonlinearity a…
Extensive density-functional calculations on atomic chemisorption of H, B, C, N, O, F, Al, Si, P, S, and Cl on the polar TiC(111) and TiN(111) yield similar adsorption trends for the two surfaces: (i) pyramid-like adsorption-energy trends along the adatom periods; (ii) strongest adsorption for O, C, N, S, and F; (iii)…