Materials Literature
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Uronates are important constituents of maize mucilage and polyuronates are used as a simplified model of the soil–root interface. We tested whether galacturonate (GA) and polygalacturonate (PGA) impair the diffusion of phosphate (PO 4 ) into and out of pores of a synthetic goethite (147 m 2 g −1 ) and whether the effe…
We theoretically perform a comparative analysis of the adsorption of polymers onto the regularly and randomly nonuniform surfaces. By developing and making use of the self-consistent perturbation expansion we calculate the surface excesses of the polymers adsorbed on the random and periodically patterned surfaces. In…
The solubility of carbon dioxide in polycaprolactone (CAPA 6800) was measured at (313 and 333) K between pressures of (80 and 200) bar. Data were obtained using a static method that allowed saturation of the polymer with CO 2 under the experimental conditions.
The synthesis of porous inorganic films and materials by templating organized organic matter with nanosized structural elements is an actual field in the cross-section of inorganic chemistry, materials chemistry and surfactant science. This discussion article will review recent experiments in this area on a variety of…
Ni adsorption on Stone-Wales defect sites in (10,0) zigzag and (5,5) armchair single-wall carbon nanotubes was studied using the density functional theory. The stable adsorption sites and their binding energies on different Stone-Wales defect types were analyzed and compared to those on perfect side walls. It was dete…
Summary Sorption of the anionic form of the pesticide 2,4–D (2,4–dichlorophenoxyacetic acid) on the surface of the clay mineral montmorillonite was investigated using a short‐time ab initio molecular dynamics (MD) simulation at room temperature. Three different situations were modelled: sorption on a dry surface, on a…
Rapid formation of active, mesoporous, and crystalline TiO 2 photocatalysts via a novel microwave hydrothermal process is presented. Crystalline anatase mesoporous nanopowders 100–300 nm in size with worm hole‐like pore sizes of 3–5 nm were prepared by a modified sol–gel of titanium tetra‐isopropoxide, accelerated by…
A flexible nano-photo-electrochromic poly(ethylene terephthalate) (PET)−TiO 2 −PO 4 −methylene blue (MB) based film was obtained by the deposition of TiO 2 nanoparticles on a PET conductive substrate. A further covalent chemical bond of MB molecules on the TiO 2 film by means of phosphate groups ensures the photo-elec…
The master sintering curve approach represents densification data in terms of a master variable that combines sintering time and temperature. Recently, a finite‐element scheme to predict sintering deformation that requires only the master sintering curve instead of a full constitutive law as the input data has been de…
We predict the photoswitching magnetic properties of four substituted dihydropyrenes from density functional broken-symmetry calculations. The magnetic exchange coupling constants differ up to 9.44 cm(-1). The intramolecular exchange interactions are ferromagnetic in nature. The calculated coupling constants are much…
Solid-state synthesis of boron subnitride, B 6 N, as a result of chemical interaction between boron and boron nitride at 7.5 GPa and 1700 °C has been previously reported by Hubert et al. However, a critical analysis of the results has shown that the evidence for the formation of boron subnitride with B 6 O-like struct…
This paper deals with the physical and the chemical gelation of gelatin in the presence of a reactant, bisvinyl sulfonemethyl (BVSM). The strategy of this investigation is to separate the contributions of the two types of cross-links in order to deduce the resultant elasticity of the network. In addition, the question…
To stabilize platinum clusters on carbon supports, carbon substituted boron dopants were introduced in graphite and fullerene models, and the binding energies of Pt(1) to Pt(6) clusters on the carbon supports were investigated using first-principles density functional theory (DFT) calculations. The adsorption energies…
The (183)W nuclear shielding in a variety of tungsten polyoxometalates (POM) (Lindqvist, Anderson, decatungstates, Keggin) of different shapes and charges has been modeled by DFT calculations that take into account relativistic effects, by means of the zero-order regular approximation (ZORA), and solvent effects, by t…
Multiporphyrin dendrimers are among the most promising architectures to mimic the oxygenic light-harvesting complex because of their structural similarities and synthetic convenience. The overall geometries of dendrimers are determined by the core structure, the type of dendron, and the number of generations of interi…
Room temperature Mössbauer, X-ray and IR spectral studies were carried out for the spinel system Mn0.5Zn0.5AlxFeO4, , prepared using the usual ceramic technique. X-ray patterns confirm that all samples have single phase cubic spinel structure. The Mössbauer spectra of the samples show a six-line magnetic pattern and a…
Driven by capillary force, wet carbon nanotube (CNT) arrays have been found to reorganize into cellular structures upon drying. During the reorganization process, individual CNTs are firmly attached to the substrate and have to lie down on the substrate at cell bottoms, forming closed cells. Here we demonstrate that b…
Zirconia samples with up to 27 mol% TiO 2 were synthesized at low and elevated pressures, significantly extending the range of ZrO 2 –TiO 2 solid solution compared with previous crystal structure studies of monoclinic and tetragonal zirconia (<17.5 mol%). Crystal structure data collected by powder X‐ray diffraction…
Ge nanocrystallites (Ge-nc) embedded in a SiO(2) matrix are investigated using Raman spectroscopy, photoluminescence and Fourier transform infrared spectroscopy. The samples were prepared by ion implantation with different implantation doses (0.5, 0.8, 1, 2, 3 and 4) × 10(16) cm(-2) using 250 keV energy. After implant…
Abstract We report two novel multifunctional copolymers consisting of a temperature‐responsive poly( N ‐isopropylacrylamide) (PNIPAA) segment and a fluorescent fluorene‐containing acrylic polymer segment with pH responsiveness and/or DNA‐sensing ability. The functional acrylic monomer with a fluorene dimer side group…