Materials Literature
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The interaction of water with titanium dioxide (TiO 2 ) nanosheets has been studied under the framework of density functional theory plus Hubbard model. Particularly, the effect of an oxygen vacancy and a titanium vacancy on the dissociation of water has been investigated. It is found that molecular adsorption is favo…
Abstract Para ‐biguanidinyl benzoyl chitosan hydrochloride ( p ‐BGBC) is prepared with chitosan (CTS) and para ‐biguanidinyl benzoyl chloride, which is synthesized by acidchloride reaction of para ‐biguanidinyl benzonic acid hydrochloride ( p ‐BGBA), as starting material in the medium consisted of MeSO 3 H and dimethy…
Using the Kubo formula we develop a general and simple expression for the minimal conductivity in systems described by a $2\ifmmode\times\else\texttimes\fi{}2$ Hamiltonian. As an application we derive an analytical expression for the minimal conductivity tensor of bilayer graphene as a function of a complex parameter…
Abstract A solvothermal process was developed to in situ prepare epoxy (EP)/TiO 2 hybrid precursors. The chemical structure of samples was confirmed by X‐ray and Fourier transformed infrared spectroscopy. Field emission scanning electron microscope micrographs of cured EP/TiO 2 hybrid composites showed that well‐dispe…
We have simulated the relative shear motion of both neutral and polyelectrolyte end-grafted polymer brushes using molecular dynamics. The flexible neutral polymer brush is treated as a bead-spring model, and the polyelectrolyte brush is treated the same way except that each bead is charged and there are counterions pr…
Carbon nanotubes (CNT) are an attractive reinforcement material for several composites, due to their inherently high strength and high modulus of elasticity. There are controversial results for cement paste with admixed CNT up to 500 µm in length. Some results show an increase in flexural or compressive strength, whil…
The size-dependent electronic, structural, and magnetic properties of Mn-doped gold clusters have been systematically investigated by using relativistic all-electron density functional theory with generalized gradient approximation. A number of new isomers are obtained for neutral MnAu(n) (n = 1-16) clusters to probe…
Fatigue life, morphological studies, and thermal aging properties of rattan powder-filled natural rubber (NR) composites were investigated as a function of filler loading and a silane coupling agent. NR composites were prepared by the incorporation of rattan powder in the range of 0 to 30 phr into a NR matrix with a l…
Direct growth of graphene on Co(3)O(4)(111) at 1000 K was achieved by molecular beam epitaxy from a graphite source. Auger spectroscopy shows a characteristic sp(2) carbon lineshape, at average carbon coverages from 0.4 to 3 ML. Low energy electron diffraction (LEED) indicates (111) ordering of the sp(2) carbon film w…
Ceramic samples of MnW 1– x Mo x O 4 ( x ≤ 0.3) solid solution were prepared by a solid-state route with the goal of increasing the magnitude of the spin-exchange couplings among the Mn 2+ ions in the spin spiral multiferroic MnWO 4 . Samples were characterized by X-ray diffraction, optical spectroscopy, magnetization…
The triplesalen ligand system based on three salen-like coordination environments bridged by a common phloroglucinol ring has been designed and successfully applied for the rational synthesis of single-molecule magnets from two trinuclear triplesalen complexes and one hexacyanometallate by supramolecular recognition.…
The new mineral sarrabusite Pb(5)CuCl(4)(SeO(3))(4) has been discovered in the Sardinian mine of Baccu Locci, near Villaputzu. It occurs as small lemon-yellow spherical aggregates of tabular crystals (< 10 µm) of less than 100 µm in diameter. The crystal structure has been solved from and refined against electron diff…
Electrospun zein–polyvinylpyrrolidone (PVP) ultrafine fibres containing varying polymer ratios were prepared and characterised. Ketoprofen was used as a model drug incorporated into the polymer system. The fibre morphologies, the composite physical states and their interactions were investigated using scanning electro…
The evolution of aluminum hydroxides in diluted aqueous aluminum nitride (AlN) powder suspensions in the temperature range 22–90 °C was studied in order to set up a general mechanistic model over a broad temperature range, uniting previously observed hydrolysis reactions at room temperature and at elevated temperature…
The shape and motion of drops on surfaces is governed by the balance between the driving and the pinning forces. Here we demonstrate control over the motion of droplets on an inclined surface by exerting control over the contact angle hysteresis. The external modulation of contact angle hysteresis is achieved through…
The substitution of every fourth carbon atom in graphene by a boron atom preserves the honeycomb structure in the BC 3 two-dimentional lattice, but as we found in our adaptive natural density partitioning analysis, it remarkably alters the chemical bonding. First, in the BC 3 lattice, where boron atoms are surrounded…
The motional behavior of p-phenylene-d(4) rotators confined within the 2D layers of a hierarchically ordered periodic mesoporous p-divinylbenzenesilica has been elucidated to evaluate the effects of reduced dimensionality on the engineered dynamics of artificial molecular machines. The hybrid mesoporous material, char…
White-light-emitting silicon nanocrystals (Si-NCs) ranging from the near UV to the red region were fabricated by pulsed laser ablation (PLA) of a bulk silicon crystal in a supercritical fluid. The broad photoluminescence (PL) spectra, white light continuum, were investigated by measuring time evolution against aging i…
We show experimentally that gaseous CO(2) intercalates into the interlayer space of the synthetic smectite clay Na-fluorohectorite at conditions not too far from ambient. The mean interlayer repetition distance of the clay when CO(2) is intercalated is found to be 12.5 Å for the conditions -20 °C and 15 bar. The magni…
Recently, there has been intensive research on the use of nanotechnology to improve the wettability of solid surfaces. It is well-known that nanostructures can improve the wettability of a surface, and this is a very important safety consideration in regard to the occurrence of boiling crises during two-phase heat tra…