Materials Literature
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Method developed by Sandalov and coworkers [Int. J. Quant. Chem. 94, 113 (2003)] is applied to inelastic transport in the case of strong correlations on the molecule, which is relatively weakly coupled to contacts. Ability of the approach to deal with the transport in the language of many-body molecular states as well…
Sr_4Cr_3O_9 is the n = 2 member of a family of quasi-one-dimensional compounds A_{n+2}T_{n+1}O_{3n+3} (A = Ca, Sr, or Ba, T = transition metal, and n = 1 to \infty) having a crystal structure which consists of chains of n TO_6 octahedra alternated by one TO_6 trigonal prism running along the c-axis. The chains are arr…
We analyze the effect of time dependent external field on non-Markovian migration described by the continuous time random walk (CTRW) approach. The rigorous method of treating the problem is proposed which is based on the Markovian representations of the CTRW approach and field modulation. The method is applied to the…
Biexcitons in strongly confined, colloidal CdSe quantum dots were investigated with excitonic state selectivity combined with 10 fs temporal precision. Within the first 50 fs, the first excited state of the biexciton was observed. By 100 ps, mixed character biexcitons were observed, comprised of a core exciton and a s…
An in situ study of the contact-free crystallization of calcium carbonate in acoustic levitated droplets is reported. The levitated droplet technique allows an in situ monitoring of the crystallization while avoiding any foreign phase boundaries that may influence the precipitation process by heterogeneous nucleation.…
We report the synthesis of uniform crystalline WO 3 nanorods and their assembly without any surfactants. WO 3 nanorods have been synthesized by using a facile hydrothermal process without employing lithium ions and sulfates. Transparent WO 3 nanorod film has been prepared by assembled coating of the as-synthesized WO…
A mixed-valence Co(II)/Co(III) heptanuclear wheel [Co(II)3Co(III)4(L)6(MeO)6] (LH2 = 1,1,1-trifluoro-7-hydroxy-4-methyl-5-aza-hept-3-en-2-one) has been synthesized and its crystal structure determined using single-crystal X-ray diffraction. The valence state of each cobalt ion was established by bond valence sum calcu…
A set of 41 metal-ligand bond distances in 25 third-row transition-metal complexes, for which precise structural data are known in the gas phase, is used to assess optimized and zero-point averaged geometries obtained from DFT computations with various exchange-correlation functionals and basis sets. For a given funct…
For a newly discovered iron-based high T_{c} superconductor LaFeAsO1-xFx, we have constructed a minimal model, where inclusion of all five Fe d bands is found to be necessary. The random-phase approximation is applied to the model to investigate the origin of superconductivity. We conclude that the multiple spin-fluct…
Fiber bundle thickness irregularity from a roll draft mechanism was analyzed in the time domain on the basis of a theoretical model (Partial Differential Equation, PDE, system) for bundle flow. As the governing equations that consisted of continuity and motion equations turned out to be nonlinear, being coupled betwee…
In a recent study on the measurement of SiO 2 film thickness on a silicon substrate, the thicknesses measured by various methods showed large offset values, giving an apparent thickness when the real thickness was extrapolated to zero. Compensation of these offset values is a key solution for the establishment of trac…
Abstract A novel hybrid layered assembly based on aluminum‐coated poly(vinyl alcohol) (PVA) nanofibers supported on a polypropylene (PP) web was fabricated via electrospinning and physical vapor deposition. The PVA nanofibers and coated aluminum were characterized by field emission scanning electron microscopy and tra…
As is well known, the main disadvantage of air-jet weaving machines is their high energy costs compared to projectile and rapier weaving machines. This makes air-jet looms less preferable for companies in countries such as Turkey that suffer from very high energy costs, despite their higher production speeds. Air-jet…
In this paper the combination of thermal oxidation and electrochemical anodizing processes is used to produce titanium oxide layers. The response of titanium alloy Ti6Al4V to oxidation processes at various temperatures and electrochemical anodizing in various voltages are investigated. Scanning electron microscopy (SE…
Abstract We carried out electrochemical functionalization of single‐walled carbon nanotube mats (buckypaper) in HCl and KCl aqueous solutions by exposing them to electrochemical potentials above the Cl – oxidation potential and high Faradaic currents. Formation of C‐Cl covalent bonds was established by X‐ray Photoelec…
Abstract Diffusion of carbon is the crucial step in chemical vapor deposition (CVD) growth of carbon nanotubes (CNTs) on metal nanoparticles. Using first principles techniques we model the binding and diffusion of carbon atoms and dimers on late transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metal catalysts. We cons…
The phase behavior of symmetric polystyrene- block -poly( n -butyl- ran - n -hexyl) methacrylate copolymers (PS- b -Pn(B- r -H)MA) with various molecular weights was investigated by small-angle X-ray scattering (SAXS), rheometry, polarized optical microscopy (POM), and static birefringence. PS- b -PnBMA exhibited a lo…
The influences of active species Fe-Co composition on the growth of carbon nanotubes (CNTs) were systemically investigated. CNTs were grown from the pyrolytic decomposition of C(2)H(2) over Fe-Co/CaCO(3) catalysts by radio frequency chemical vapor deposition (CVD). The catalyst stoichiometry was found to strongly infl…
Fe(m)(coronene)(n) (m=1,2, n=1,2) cluster anions were generated by a laser vaporization source and studied by anion photoelectron spectroscopy. Density functional theory was used to calculate the structures and the spin multiplicities of those clusters as well as the electron affinities and photodetachment transitions…
Abstract In addition to g = 2.00 signals seen frequently in EPR spectra of SWNT, signals at g = 2.07 of SWNT prepared by CVD were detected, exhibiting a Pauli susceptibility temperature dependence. This Pauli magnetism in combination with the large g shift is taken as evidence that these signals originate from itinera…