Materials Literature
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An Al–Si solid-state phase diagram is studied using first-principles electronic structure calculations of formation enthalpies and quasiharmonic vibrational free energies. The harmonic vibrational entropy of formation of a Si impurity in fcc Al is predicted to be Δ S vib = +2.6 k B per Si atom, resulting in more than…
Titanocene 1,8-dithiolato-naphthalene and titanocene 2,2'-dithiolato biphenyl are produced by the reaction of naphtho[1,8-cd]-1,2-dithiole [or the biphenyl] with titanocene dicarbonyl (Ti(II)) in toluene at room temperature. The pro-ligands 2,7-di(tert-butyl)naphtho[1,8-cd]-1,2-dithiole, 5,6-dihydroacenaphtho[5,6-cd]-…
Ultralong and single-crystalline Cd(OH)(2) nanowires were fabricated by a hydrothermal method using alkali salts as mineralizers. The morphology and size of the final products strongly depend on the effects of the alkali salts (e.g., KCl, KNO(3), and K(2)SO(4) or NaCl, NaNO(3), and Na(2)SO(4)). When the salt is absent…
Abstract A white-emitting long-lasting phosphor is synthesized by the conventional high temperature solid-state method. After irradiation by 185 or 210 nm UV light for 1 min, the Dy3+-doped Sr2SiO4 phosphor emits white color long-lasting phosphorescence, and the phosphorescence can be seen with the naked eye in the da…
Using recent advances in the Random First-Order Transition (RFOT) Theory of glass-forming liquids, we explain how the molecular motions of a glass-forming solvent distort the protein's boundary and slave some of the protein's conformational motions. Both the length and time scales of the solvent imposed constraints ar…
A thin palladium film supported on SiO 2 -modified porous stainless steel has been fabricated by a novel preparation procedure. SiO 2 colloid suspensions with different particle sizes were applied to modify the pore size of the substrate and form an intermediate SiO 2 layer to support the palladium layer as well. Pall…
A series of ferrocenyl−arene dyads, Fc−C⋮C−Ar, trans -Fc−CH CH−Ar, and Fc−CH CH−CH CH−Ar (Ar = phenyl, 1-naphthyl, 2-naphthyl, 9-phenanthryl, 9-anthryl, 1-pyrenyl, 3-perylenyl) have been synthesized. Their structures and spectroelectrochemical properties are discussed. The molecular structures of several have been det…
Reaction of [Ru(arene)Cl(2)](2) (arene = benzene, toluene, p-cymene, hexamethylbenzene) with K(7)[PW(11)O(39)].14H(2)O provided two series of organometallic derivatives of heteropolytungstates: type-1 and type-2 complexes of general formulas [PW(11)O(39){Ru(arene)(H(2)O)}](5-) and [{PW(11)O(39){Ru(arene)}}(2){WO(2)}](…
Rigid chelates of high-molecular weight, [M(tpy-DTTA)2]6- (M = Fe, Ru), are obtained upon self-assembly around one M(II) ion of two terpyridine-based molecules substituted in the 4'-position with the polyaminocarboxylate diethylenetriamine-N,N,N'',N''-tetraacetate, tpy-DTTA4-. The protonation constants of tpy-DTTA4- (…
The stiffness and thermal expansion coefficient of ZrB2 are calculated within the density functional theory formalism. The stiffness tensor obtained here using the static finite strain technique is in good agreement with the results of resonant ultrasonic measurements and points to a possible misinterpretation of the…
We report the synthesis, optical, electrochemical, electronic structural, and transient optical properties of conjugated (porphinato)zinc(II)-spacer-(porphinato)zinc(II) (PZn-Sp-PZn) complexes that possess intervening conjugated Sp structures having varying degrees of proquinoidal character. These supermolecular PZn-S…
Immobilized Lipase B from Candida antartica (Novozyme 435) catalyzed bulk polycondensations at 70 °C for 42 h that resulted in hyperbranched polyesters with octanediol-adipate and glycerol-adipate repeat units. Instead of using organic solvents, the monomers adipic acid (A 2 ), 1,8-octanediol (B 2 ), and glycerol (B‘B…
We report an experimental and theoretical investigation of the growth and structure of large carbon clusters produced in a supersonic expansion by a pulsed microplasma source. The absence of a significant thermal annealing during the cluster growth causes the formation of disordered structures, where sp 2 and sp hybri…
We report on a study of quasi-ballistic transport in deep submicron, inhomogeneous semiconductor structures, focusing on the analysis of signatures found in the full nonequilibrium electron distribution. We perform self-consistent numerical calculations of the Poisson-Boltzmann equations for a model n(+)-n(-)-n(+) GaA…
We report scanning tunneling microscopy and ballistic electron emission microscopy studies of the electronic states of the uncovered and chemisorbed-oxygen covered surface of AlOx tunnel barrier layers. These states change when chemisorbed oxygen ions are moved into the oxide by either flood gun electron bombardment o…
Structure and dielectric characterization were performed on the (1-x)La(Mg1/2Ti1/2)O3 - xLa2/3TiO3 perovskite ceramics with the actual composition 0<=x<=0.52. The sequence of structure transformations was detected as x is increased: P21/n (0<=x<0.3) - Pnma (0.3<=x<0.37) - Imma (0.37<=x<0.4) - I2/a (0.4<=x<=0.49) - R-3…
It is shown that negative electric permittivity and magnetic permeability recently discovered in a photonic crystal in the vicinity of the Gamma-point are properties of propagating modes only. The evanescent modes rather decay than increase in the bulk of the crystal though they may be amplified by surface waves. If s…
Lanthanide(III) β-diketonate complexes (Ln = Nd, Sm, Eu, Gd, Tb, Er, Yb) were immobilized on a 1,10-phenanthroline (phen)-functionalized Merrifield resin (cross-linked chloromethylated polystyrene). 1,10-Phenanthroline was coupled to the polymer beads by nucleophilic displacement of the chlorine with 5-amino-1,10-phen…
We investigate the magnitude and temperature dependence of electrical conductivity, the optical and infrared absorption, and the Raman spectra of single-walled carbon nanotube (SWNT) bucky-paper after chemical treatment and determine the correlations between the changes in these properties. Ionic-acceptor doping of th…
A new strategy for the preparation of protein-functionalized polymer brushes is reported, which is based on a combination of surface-initiated atom transfer radical polymerization (ATRP), p-nitrophenyl chloroformate activation of the surface hydroxyl groups, and subsequent O(6)-benzylguanine (BG) functionalization. Th…