Materials Literature
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Single d-metal atoms on oxygen defects F(s) and F(s+) of the MgO(001) surface were studied theoretically. We employed an accurate density functional method combined with cluster models, embedded in an elastic polarizable environment, and we applied two gradient-corrected exchange-correlation functionals. In this way,…
Growth of gold nanorods (AuNRs) by photochemical reduction of HAuCl4 in a micelle solution of hexadecyltrimethylammonium bromide (CTAB) and tetraoctylammonium bromide (TOAB) is studied. The effects of 300 and 254 nm UV light sources and their photon flux on the anisotropic growth of gold nanoparticles are investigated…
The synthesis of narrow diameter (<10 nm) straight and branched PbSe nanowires (NWs) using a seeded solution approach is described. Solution-based PbSe NWs are obtained by injecting a solution consisting of trioctylphosphine selenide (TOPSe) and Au/Bi core/shell nanoparticles (NPs) into a mixture composed primarily of…
Porous scaffolds of 1,5-dioxepan-2-one (DXO), L-lactide (LLA), and epsilon-caprolactone (CL) were prepared by a solvent casting, salt particulate leaching technique in which the composites were detached from their mold using a novel methanol swelling procedure. By incorporating DXO segments into polymers containing LL…
Correlated ab initio calculations are used to compare the energetics when the CH and NH groups of the model dipeptide CHONHCH2CONH2 are each allowed to form a H-bond with the proton acceptor O of a peptide group. When the dipeptide is in its C7 conformation, the NH..O H-bond energy is found to be 7.4 kcal/mol, as comp…
Single-wall carbon nanotubes grow along self-assembled nanosteps of annealed miscut C-plane sapphire. Depending on the miscut orientation and annealing conditions, graphoepitaxy leads to the formation of either unprecedentedly straight and parallel nanotubes, with angular deviations as small as +/-0.5 degrees , or to…
NaAlH4 samples with Ti additives (TiCl3, TiF3, and Ti(OBu)4) have been investigated by synchrotron X-ray diffraction in order to unveil the nature of Ti. No crystalline Ti-containing phases were observed after ball milling of NaAlH4 with the additives, neither as a solid solution in NaAlH4 nor as secondary phases. How…
The effects of oxygen-hydrogen pretreatments of nanosilver catalysts in cycle mode on the structure and particle size of silver particles, and subsequently the activity of the catalyst toward CO oxidation (or CO selective oxidation in the presence of H2), are reported in this paper. Ag/SiO2 catalyst with silver partic…
Sorption hysteresis is a widely studied phenomenon whose predicted behavior is well documented and researched. On the other hand, there is much less known about the region that lies between sorption isotherms, believed to be a metastable region. Scanning curves are a way of understanding the mechanism of hysteresis an…
This study has successfully demonstrated that the cooperative action of artificial receptors with semi-wet supramolecular hydrogels may produce a unique and efficient molecular recognition device not only for the simple sensing of phosphate derivatives, but also for discriminating among phosphate derivatives. We direc…
Composites based on phenolic matrices and unmodified and chemically modified sugar cane bagasse and curaua fibers were prepared. The fibers were oxidized by chlorine dioxide, mainly phenolic syringyl and guaiacyl units of the lignin polymer, followed by grafting furfuryl alcohol (FA), which is a chemical obtained from…
We report the results of a detailed study of the structural, magnetic and magnetotransport properties of as-grown and annealed Ga0.91Mn0.09As thin films grown on (311)A and (311)B GaAs substrates. The high Curie temperature and hole density of the (311)B material are comparable to those of GaMnAs grown on (001) GaAs u…
We have observed the Hall effect in the field-induced accumulation layer on the surface of small-molecule organic semiconductor. The Hall mobility mu_H increases with decreasing temperature in both the intrinsic (high-temperature) and trap-dominated (low-temperature) conduction regimes. In the intrinsic regime, the de…
The recently discovered multiferroic material CdCr2S4 shows a coexistence of ferromagnetism and relaxor ferroelectricity together with a colossal magnetocapacitive effect. The complex dielectric permittivity of this compound and of the structurally related CdCr2Se4 was studied by means of broadband dielectric spectros…
We report the formation of novel thermosensitive hybrid core-shell particles via in situ synthesis of gold nanoparticles using thermosensitive core-shell particles as a template. The template core-shell particles, with cores composed mainly of poly(glycidyl methacrylate) (GMA) and shells composed mainly of poly(N-isop…
Hollow spherical silica particles with hexagonally ordered mesoporous shells are synthesized with the dual use of cetyltrimethylammonium bromide (CTAB) and unmodified polystyrene latex microspheres as templates in concentrated aqueous ammonia. In most of the hollow mesoporous particles, cylindrical pores run parallel…
Four free-base corroles with electron-donating or electron-withdrawing groups on the para or 2 through 6-positons of the meso phenyl rings were prepared via either Paolesse or Gross conditions and investigated for their absorption and emission properties. The triaryl corroles 5,10,15-triphenylcorrole, 5,10,15-tris(pen…
Recent studies on the speciation of Zn in contaminated soils confirmed the formation of Zn-layered double hydroxide (LDH) and Zn-phyllosilicate phases. However, no information on the kinetics of the formation of those phases under field conditions is currently available. In the present study, the transformation of Zn…
The dependence of coercivity on the grain size in nanocomposite Nd2Fe14B/α–Fe magnets with different distributions of magnetically soft and hard phases is investigated by means of statistical mean. The calculations show that when there exists no soft phase, the coercivity of magnets decreases monotonically with hard g…
Abstract The possibility of the application of spent sulfuric acid from the petrochemical industry in wet‐process phosphoric acid technology was investigated. The effect of organic impurities in sulfuric acid from benzol acidic refining on the solubility of calcium sulfate hydrates is discussed. Solubility isotherms a…