Materials Literature
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Throughout this work, we aim to explore the linear optical properties of a semiconductor multi-shell spherical quantum dot with and without a hydrogenic donor impurity. The core and well layers are defined by the parabolic electronic potentials in the radial direction. The energy levels and corresponding wavefunctions…
The mechanical properties of bamboo ( Phyllostachys heterocycla) fiber were evaluated. The friction and wear performance of the bamboo fiber-reinforced friction materials (BFRFMs) were tested on a constant speed friction tester. The results showed that the friction coefficient of BFRFMs (reinforced with 3 wt.%, 6 wt.%…
This paper discusses the formation of the central light spot by means of a binary diffraction axicon with high numerical aperture, using a difference method of solving Maxwell’s equations in the temporal region. It is shown that the broadening of the central light spot that unavoidably appears when the beam that illum…
The water vapour sorption kinetics and isotherms of pectin films prepared by the casting method were determined. The measurement of water vapour sorption kinetics was conducted using a saturated sodium chloride solution to obtain constant relative humidity of the environment (75.3%). The measurement was carried out at…
Using a combination of random configuration sampling, molecular dynamics simulated annealing with empirical potential, and ensuing structural refinement by first-principles density functional calculations, we perform an extensive ground-state search for the most stable configurations of small carbon interstitial clust…
Colloidal particles with a dielectric constant (magnetic susceptibility) mismatch with the surrounding solvent acquire a dipole moment in a homogeneous external electric (magnetic) field. The resulting dipolar interactions can lead to aggregation of the particles into string-like clusters. Recently, several methods ha…
Using large-scale dynamical cluster quantum Monte Carlo simulations, we study the Lifshitz transition of the two-dimensional Hubbard model with next-nearest-neighbor hopping (${t}^{\ensuremath{'}}$), chemical potential, and temperature as control parameters. At ${t}^{\ensuremath{'}}\ensuremath{\le}0$, we identify a li…
Fermi showed that, as a result of their quantum nature, electrons form a gas of particles whose temperature and density follow the so-called Fermi distribution. As shown by Landau, in a metal the electrons continue to act like free quantum mechanical particles with enhanced masses, despite their strong Coulomb interac…
Revealing the nature of charge excitations in strongly correlated electron systems is crucial to understanding their exotic properties. Here we use broadband ultrafast pump-probe spectroscopy in the visible range to study low-energy transitions across the Mott-Hubbard gap in the orbitally ordered insulator YVO${}_{3}$…
The applicability of ionic liquids to the polymorphic design of the active pharmaceutical ingredient adefovir dipivoxil (AD) was investigated in the case of antisolvent crystallization. When using 1-allyl-3-ethylimidazolium tetrafluoroborate (AEImBF 4 ) as the solvent and 1-butyl-2,3dimethylimidazolium tetrafluorobora…
Using the angle-dispersive synchrotron x-ray powder diffraction technique in a diamond anvil cell, the high-pressure behaviors of antimony telluride (Sb(2)Te(3)) are explored up to 52.7 GPa at room temperature. Three high-pressure phases have been observed, at about 8.0 GPa, 13.2 GPa and above 21.6 GPa, respectively.…
Four new heteroleptic iridium(III) complexes in the family [Ir(dfppz)(2)(N^N)](+), where Hdfppz = 1-(2,4-difluorophenyl)-1H-pyrazole and N^N = 6-phenyl-2,2'-bipyridine (1), 4,4'-(di-tert-butyl)-6-phenyl-2,2'-bipyridine (2), 4,4'-(di-tert-butyl)-6,6'-diphenyl-2,2'-bipyridine (3) and 4,4'-bis(dimethylamino)-2,2'-bipyrid…
The diffusion of dilute metallic lithium across the surface and into the bulk of atomically clean highly oriented pyrolytic graphite in ultrahigh vacuum is reported. Auger electron spectroscopy and a surface-dependent chemical reaction were utilized to monitor the coverage, oxidation state, and diffusion of Li. A very…
Ten neutral monomeric, dimeric and polymeric mercury(II) complexes of compositions HgX(2)L (3, 8), [HgX(2)L](2) (1, 2, 4-6 and 7), [Hg(NO(3))(2)L](n) (9) and {[Hg(N(3))(2)L](2)}(n) (10) where X = chloride, bromide, iodide, nitrate and azide, and L = (E)-N-(pyridin-2-ylmethylidene)arylamine, are described. Compounds 1-…
Extracellular amyloid-β (Aβ) plaques and intracellular neurofibrillary tangles constitute the major neuropathological hallmarks of Alzheimer's disease (AD). It is now apparent that parenchymal Aβ plaque deposition precedes behavioral signs of disease by several years. The development of agents that can target these pl…
We present a study of the entanglement in the electronic structure of the late transition metal monoxides--MnO, FeO, CoO, and NiO--obtained by means of density-functional theory in the local density approximation combined with dynamical mean-field theory. The impurity problem is solved through exact diagonalization, w…
BiSI (indirect band gap = 1.57 eV) is a recently discovered photoelectrode material possessing promising optical properties for use in alternative thin film solar cells. In this work, we study the effects of selenium doping on BiSI film properties and also demonstrate the incorporation of BiS 1– x Se x I films into bo…
The design and construction of novel artificial molecular machines can be categorized as a currently important field of modern chemistry. In the present work, a novel photoresponsive [3]rotaxane containing two cucurbit[7]uril (CB[7]) rings and a dumbbell component consisting of one trans-azobenzene unit along with two…
The neutral and one-electron oxidized Cu(II) six-membered chelate 1,3-Salcn (1,3-Salcn = N,N'-bis(3,5-di-tert-butylsalicylidene)-1,3-cyclohexanediamine) complexes have been investigated and compared with the five-membered chelate 1,2-Salcn (N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-(1R,2R)-diamine) compl…
The vitreous humor represents a significant barrier to the penetration of nanoparticulate-based ocular drug delivery systems. The gel structure and biochemical components of the vitreous will impact the rate of nanoparticle movement through the tissue to reach the retinal tissue. Also the structure of the vitreous, fl…