Materials Literature
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The pressure−volume−temperature ( PVT ) dependence of commercial poly-ε-caprolactam melt (PA-6) and based on it a nanocomposite containing 1.6 wt % of exfoliated montmorillonite (PNC) as well as their 1:1 mixture was determined at T = 300−560 K and P = 0−150 MPa. Incorporation of clay into PA-6 resulted in lowering th…
Pressure-volume-temperature measurements were carried out on two van der Waals liquids, 1,1′-bis(p-methoxyphenyl)cyclohexane (BMPC) and 1,1′-di(4-methoxy-5methylphenyl)cyclohexane (BMMPC). In combination with dielectric spectroscopy results, the relative contribution of temperature and density to the structural relaxa…
A convenient synthetic route to 1,4-bis(tert-butoxycarbonylmethyl)tetraazacyclododecane (cyclen) (1) with high yield and excellent regioselectivity is described. Compound 1 reacted with a range of functionalized alkyl halides under two reaction conditions to give mono-N-alkylated 1,4-bis(tert-butoxycarbonylmethyl)tetr…
The dinuclear compound [CuL2(py)U(acac)2] has been synthesized by treating [Cu(H2L2)] with U(acac)4 (L2 = N,N'-bis(3-hydroxysalicylidene)-2-methyl-1,2-propanediamine) and shows the antiferromagnetic Cu-U interaction; the distinct magnetic behaviour of the trinuclear complexes [(CuL2)2U] (antiferromagnetic) and [[CuL1(…
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A selective dealloying in bimetallic nanoclusters prepared by ion implantation has been found upon thermal annealing in oxidizing atmosphere or irradiation with light ions. In the first process, the incoming oxygen interacts preferentially with copper promoting Cu2O formation, therefore extracting copper from the allo…
Five novel silver(I) coordination polymers with cis-1,2-dicyano-1,2-bis(2,4,5-trimethyl-3- thienyl)ethene (cis-dbe) were synthesized and are characterized in this paper. Treatment of AgCF(3)SO(3) or AgCF(3)CO(2) with cis-dbe afforded [Ag(2)(cis-dbe)(CF(3)SO(3))(2)] (1) and [Ag(2)(cis-dbe)(CF(3)CO(2))(2)] (2), and both…
New geometry optimization techniques are introduced for characterizing local minima, transition states, and pathways corresponding to enthalpy surfaces at constant pressure. Results are obtained for comparison with the potential energy surfaces of model glass formers studied in previous work. The constant pressure con…
Unique tetranickel(II) complexes have been synthesized which incorporate genuine mu3-1,1,3 or mu4-1,1,3,3 bridging azido ligands. Identification of two distinct isomeric mu4-1,1,3,3 binding modes confirms the structural flexibility of the quadruply bridging azide.
The adsorption of water on the TiO2(110) surface has become the model process in efforts to understand metal oxide–aqueous solution interfaces. Considerable progress has been made in understanding low-coverage situations where first-principle calculations have been employed to good effect. However, current theory is l…
The preparation, X-ray crystal structure, EPR data, and magnetic measurement of [Cu(II)(hfac)(2)(TTF-py)(2)](PF(6)).2CH(2)Cl(2), a novel material where the conducting and the localized spin systems are covalently linked through conjugated bridges, are reported. The partial oxidation of the TTF-type organic donor ligan…
Extensive magnetization and magnetostriction measurements were carried out on a single crystal of GdNi2B2C along the main tetragonal axes. Within the paramagnetic phase, the magnetic and strain susceptibilities revealed a weak anisotropy in the exchange couplings and two-ion tetragonal-preserving alpha-strain modes. W…
Using first principles simulations we have investigated the structural and bonding properties of dense fluid oxygen up to 180 GPa. We have found that band gap closure occurs in the molecular liquid, with a "slow" transition from a semi-conducting to a poor metallic state occurring over a wide pressure range. At approx…
We present the first wavelet-based all-electron density-functional calculations to include gradient corrections and the first in a solid. Direct comparison shows this approach to be unique in providing systematic ``transparent'' convergence, convergence with a priori prediction of errors, to beyond chemical (millihart…
Zero-field specific heat of the single crystals RNi2B2C (R= Er, Ho, Dy, Tb, Gd) was measured within the temperature range 0.1 K
(1-x)PbMg1/3Nb2/3O3-(x)PbSc1/2Nb1/2O3 (PMN-PSN) solid solution crystals have been grown by the flux method in the whole concentration range. X-ray supercell reflections due to B-cation ordering were observed for as-grown crystals from the 0.1 < x < 0.65 compositional range. Though the ordered domains are rather large…
Using the time-dependent LDA method, we investigate the tunability of the optical polarizability of small metallic nanoshells. We show that the energies of the two dipolar plasmon resonances vary with the ratio of shell thickness to particle radius in a manner similar to what has been predicted using classical Mie sca…
Radiation rates and emission quantum yields of Eu(III) were modified using asymmetric deuterated Eu(III) complexes doped in poly(methyl methacrylate) (PMMA) deuterated tris-(hexafluoroacetylacetonato)europium(III) with phospine oxide in order to produce lowthreshold levels for laser transmission and amplifier emission…
The first-order Raman spectra of the transition metal dioxide OsO 2 with tetragonal rutile structure have been measured at room temperature. A linearly polarized argon laser light source and completely oriented single-crystal samples have made possible unambiguous determination of the four allowed Raman-active phonon…
To date, no off-the-shelf graft has performed better than the autologous vessel in applications requiring small-bore (< 6-mm diameter) vascular grafts. Much research has been devoted to seeding endothelial cells on synthetic grafts to improve their long-term clinical performance. One key challenge is the ability to re…