Materials Literature
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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)…
Gallium displays physical properties which can make it a potential element to produce metallic nanowires and high-conducting interconnects in nanoelectronics. Using first-principles pseudopotential plane method we showed that Ga can form stable metallic linear and zigzag monatomic chain structures. The interaction bet…
La2Au2Cd and Ce2Au2Cd were prepared from the elements by reactions in sealed tantalum tubes in a water-cooled sample chamber of an induction furnace. These intermetallics crystallize with the tetragonal Mo2FeB2 type, space group P4/mbm. While La2Au2Cd is Pauli paramagnetic, Ce2Au2Cd shows Curie-Weiss behaviour above 1…
A high electrostrictive strain (∼0.1%) with hysteresis-free behavior is observed in (Sr,Na,Bi)TiO3 solid solutions. Its strain versus polarization (P) completely follows the quadratic relation (see Figure), indicating a purely electrostrictive effect with an electrostrictive coefficient Q11 of 0.02 m4 C–2. These prope…
New methods are available to position the energy levels of divalent lanthanide impurities in wide band gap inorganic compounds (halides, chalcogenides) relative to the conduction and valence bands. These methods are used to determine the energy difference ( E Ff ) between the 4f n ground state of the lanthanide and th…
In contrast to ordinary ferroelectrics where the temperature ${T}_{m}$ of the permittivity maximum monotonically increases with bias field $E$ in $(1\ensuremath{-}x)\mathrm{Pb}{\mathrm{Mg}}_{1∕3}{\mathrm{Nb}}_{2∕3}{\mathrm{O}}_{3}\text{\ensuremath{-}}(x)\mathrm{Pb}\mathrm{Ti}{\mathrm{O}}_{3}$ $(0\ensuremath{\leqslant}…