Materials Literature
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Oxygen-isotope-exchange rates were measured between sites in the Lindqvist-type [H(x)()Nb(6)O(19)](8)(-)(x)()((aq)) polyoxoanion and aqueous solution as a function of pH and temperature. The ion has a central mu(6)-O that is inert to exchange, 12 mu(2)-O(H), and 6 eta-O. The potassium salt of this ion is recrystallize…
Abstract Novel biobased epoxy resins were prepared from two fatty acid derivatives; epoxidized 10‐undecenoyl triglyceride and epoxidized methyl 3,4,5‐tris(10‐undecenoyloxy)benzoate, with 4,4′‐diaminodiphenylmethane as a crosslinking agent. The flame retardancy of these epoxy resins was improved by the addition of 10‐[…
SnO 2 nanocrystalline thin films were deposited on glass substrates by the spray pyrolysis technique in air atmosphere at 375, 400, 425, 450 and 500 °C substrate temperatures. The obtained films were characterized by using XRD. The room temperature photoluminescence (PL) spectra of these films have near band edge (NBE…
Electronic spectrum of organoimide derivatives of hexamolybdates have first been calculated within the time-dependent density-functional theory in conjunction with Van Leeuwen-Baerends (LB94) exchange correlation potential, statistical average of orbital potentials (SAOP), and gradient-regulated connection potential (…
The kinetics of enzymatic ring-opening polymerization (eROP) of ε-caprolactone in supercritical carbon dioxide (scCO 2 ) was investigated using a new, high-pressure sampling autoclave. The polymerization was performed using Candida antarctica lipase B (CALB) as catalyst and was found to be approximately first order wi…
In this paper, we evaluate the strength, toughness and stiffness of super-nanotubes, just recently discovered, and of the related fibre-reinforced composites. The prediction of huge toughening mechanisms suggests the feasibility of ‘super-composites'. We found the optimum for super-nanotubes with a number of ∼2 hierar…
Selective-controlled structure and shape of LaVO(4) nanocrystals were successfully synthesized by a simple hydrothermal method without the presence of catalysts or templates. It was found that tuning the pH of the growth solution was a crucial step for the control of the structure transformation, that is, from monocli…
We have undertaken a new study of the magnetic and crystalline structures of YMnO 3 and HoMnO 3 using neutron diffraction combined with neutron polarimetry. It is shown how the long-standing problem of distinguishing between magnetic structure models which give nearly identical diffraction intensities may be resolved.…
The attachment of a hydrophobic peptide onto polybutadiene-block-poly(ethylene oxide) shifts the assembly morphologies in water towards those with lower curvatures, namely, from spherical micelles to wormlike micelles and vesicles (see picture; wEO: weight fraction of the hydrophilic PEO block; PEO=poly(ethylene oxide…
Interfacial charge-transfer absorption (IFCTA) provides information concerning the barriers to charge transfer between molecules and the energy levels of a metal/semiconductor and the magnitude of the electronic coupling and could thus provide a powerful tool for understanding interfacial charge-transfer kinetics. Her…
Models to account for the observed experimental results for low-energy nuclear reactions in palladium-deuteride systems are presented along with calculated results. The crucial idea is a mechanism of improved probability for the needed penetration of the Coulomb barrier for a D-D reaction. This facilitation occurs, in…
Density functional and quantum Monte Carlo calculations challenge the existence of a unique ground state structure for certain Si clusters. For Si clusters with more than a dozen atoms the lowest ten isomers are close in energy and for some clusters entropic effects can change the energetic ordering of the configurati…
We report on the study of spin photocurrents in (110)-grown quantum well structures. Investigated effects comprise the circular photogalvanic effect and so far not observed circular photon drag effect. The experimental data can be described by an analytical expression derived from a phenomenological theory. A microsco…
Fundamental theories and practical methods for large-scale electronic structure calculations are given, in which the computational cost is proportional to the system size. Accuracy controlling methods for microscopic freedoms are focused on two practical solver methods, Krylov-subspace method and generalized-Wannier-s…
An atomistic approach is used to investigate finite-temperature properties of ferroelectric nanodots that are embedded in a polarizable medium. Different phases are predicted, depending on the ferroelectric strengths of the material constituting the dot and of the system forming the medium. In particular, novel states…
The carrier dynamics of photoexcited electrons in the vicinity of the surface of (NH4)2S-passivated GaAs were studied via terahertz (THz) emission spectroscopy and optical-pump THz-probe spectroscopy. THz emission spectroscopy measurements, coupled with Monte Carlo simulations of THz emission, revealed that the surfac…
A method is presented for first-principles calculations of electron inelastic mean free paths and stopping powers in condensed matter over a broad energy range. The method is based on ab initio calculations of the dielectric function in the long wavelength limit using a real-space Green's function formalism, together…
${\mathrm{Nd}}_{0.5}{\mathrm{Ca}}_{0.5}{\mathrm{MnO}}_{3}$ nanoparticles (average diameter $\ensuremath{\sim}20$ and $40\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$) are synthesized by the polymeric precursor sol-gel method and characterized by various physico-chemical techniques. Quite strikingly, in the $20\phantom{\rule…
Transitions in structural heterogeneity of colloidal depletion gels formed through short-range attractive interactions are correlated with their dynamical arrest. The system is a density and refractive index matched suspension of 0.20 volume fraction poly(methyl methacyrlate) colloids with the nonadsorbing depletant p…
This application note describes how to model diffusion-limited crystal growth from vapor using QuickField - a commercial finite-element analysis code. The crystal growth problem is cast into the format of a steady-state heat diffusion problem, which is one type of problem QuickField is designed to solve, and we derive…