Materials Literature
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Recent experiments on the silicon terminated $3\times 2$ SiC(100) surface indicated an unexpected metallic character upon hydrogen adsorption. This effect was attributed to the bonding of hydrogen to a row of Si atoms and to the stabilization of a neighboring dangling bond row. Here, on the basis of Density-Functional…
We study the step bunching kinetic instability in a growing crystal surface characterized by anisotropic diffusion. The instability is due to the interplay between the elastic interactions and the alternation of step parameters. This instability is predicted to occur on a vicinal semiconductor surface Si(001) or Ge(00…
We present a new interpretation of measured Raman frequencies of a high-pressure structure of Silicon which was assigned previously to the beta-tin phase. Our results show that the beta-tin->Imma->sh phase transitions have been already indicated in this experiment which was performed before the discovery of the Imma p…
In view of the recent experimental reports of unexpected ferromagnetism in HfO$_{2}$ thin films, we carried out first principles investigations looking for magnetic order possibly brought about by the presence of small concentrations of intrinsic point defects. {\it Ab initio} electronic structure calculations using d…
The effect of the magnetic field on the critical behavior of RbOs2O6 is investigated. We present and analyze magnetization data, revealing remarkable consistency with a magnetic field induced finye size effect. It is traced back that at temperatures Tp(H) smaller than Tc the correlation length cannot grow beyond the l…
The syntheses, structures, and electroluminescent properties are described for two new lanthanide complexes Ln(HFNH)3phen [HFNH = 4,4,5,5,6,6,6-heptafluoro-1-(2-naphthyl)hexane-1,3-dione; phen = 1,10-phenanthroline; Ln = Eu3+ (1), Sm3+ (2)]. Both complexes exhibit bright photoluminescence at room temperature (RT) due…
High molecular weight (MW) polymers have shown promise in terms of improving the properties and the efficacy of low MW therapeutics. However, new systems that are highly biocompatible, are biodegradable, have well-defined MW, and have multiple functional groups for drug attachment are still needed. The biological eval…
The versatile layer-by-layer (LbL) approach has been used for the synthesis of polyelectrolyte-coated gold nanorods. The simple process first involves the synthesis of gold nanorods by our previously published three-step seed-mediated protocol. The presence of a bilayer of the surfactant cetyltrimethylammonium bromide…
The simple, well-understood coordination chemistry of the cyanide ligand is of significant utility in the design of new single-molecule magnets. Its preference for bridging two transition metals in a linear M'-CN-M geometry permits the use of multidentate blocking ligands in directing the assembly of specific molecula…
Monodisperse silica particles (SiPs) of diameter between 100 and 1500 nm were surface-modified in a mixture of ethanol/water/ammonia with a newly designed triethoxysilane having an atom transfer radical polymerization (ATRP) initiating site, (2-bromo-2-methyl)propionyloxyhexyltriethoxysilane. The surface-initiated ATR…
ADVERTISEMENT RETURN TO ISSUEPREVAddition/CorrectionCrystallization in the Thin and Ultrathin Films of Poly(ethylene-vinyl acetate) and Linear Low-Density PolyethyleneS. Ge, M. Rafailovich*, J. Sokolov, Y. Zou, H. Ade, J. Lüning, A. Lustiger, and G. MaromCite this: Macromolecules 2005, 38, 5, 2022Publication Date (Web…
In this paper, polystyrene (PS)/poly(cis‐butadiene) rubber (PcBR) blends were prepared by melt blending. Polystyrene‐graft‐maleic anhydride (PS‐g‐MAH) and linear epoxy polybutadiene (LEPB) were added to the blends to increase the compatibility. The blends were shown to be semimiscible by small‐angle X‐ray scattering (…
Blends between high‐molecular weight poly(ϵ‐caprolactone) (PCL) and an intercalated nanocomposite of poly(ϵ‐caprolactone)‐organophilic montmorillonite (OMONT), containing 30% by weight of the nanofiller (NPCL30) have been investigated. Such blends have been shown to have much improved mechanical properties with respec…
Based on the inverted quasi- ab initio pair potentials, the phase stability and site preference of R 2 Co 17− x Mn x ( R = Nd, Sm, Gd) intermetallics with a rhombohedral Th 2 Zn 17 -type structure are studied. In the calculations, the crystal binding energy of R 2 Co 17− x Mn x decreases with increasing Mn concentrati…
The GaO and GaO2 molecules were investigated using negative ion photoelectron spectroscopy. All the photoelectron spectra showed vibrationally resolved progressions. With the aid of electronic structure calculations and Franck-Condon spectral simulations, different molecular parameters and energetics of GaO-/GaO and G…
In this work, the fluorescence of glutamine-binding protein (GlnBP) and its complex with glutamine (GlnBP/Gln) in native and unfolded forms was studied. The experimental data were interpreted on the basis of the results of the analysis of Trp and Tyr microenvironments taking into the account the data for GlnBP mutated…
UPPS (undecaprenyl pyrophosphate synthase) catalyses consecutive condensation reactions of FPP (farnesyl pyrophosphate) with eight isopentenyl pyrophosphates to generate C55 UPP, which serves as a lipid carrier for bacterial peptidoglycan biosynthesis. We reported the co-crystal structure of Escherichia coli UPPS in c…
A series of hyperbranched poly[3-ethyl-3-(hydroxymethyl)oxetane] samples with various degrees of branching (DB) were adopted to investigate the relationship between crystallinity and DB. The relative degree of crystallization (DC) and DB were determined by x-ray diffraction (XRD) and 13 C nuclear magnetic resonance (…
This paper studies the nonisothermal crystallization kinetics of polypropylene (PP) and polypropylene/organic‐attapulgite (PP/org‐ATP) nanocomposites by differential scanning calorimetry (DSC) at various cooling rates. Several different analysis methods were used to describe the process of nonisothermal crystallizatio…
The reaction of cis-Ru(acac)2(CH3CN)2 (acac = acetylacetonate) with 2,2'-dipyridylamine (L) in ethanolic medium resulted in facile one-pot synthesis of stable [(acac)2RuIII(L)]ClO4 ([1]ClO4), trans-[(acac)2RuII(L)2] (2), trans-[(acac)2RuIII)L)2]ClO4 ([2]ClO4), and cis-[(acac)2RuII(L)2] (3). The bivalent congener 1 was…