Materials Literature
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Self-cleaning cotton fabrics were obtained via chemically incorporating photosensitive 2-anthraquinone carboxylic acid (2-AQC) onto the fibers through a mild and efficient esterification reaction. The 2-AQC structures on the treated cotton were confirmed by FTIR characterization. SEM images revealed that the cotton fi…
Ab initio molecular dynamics (AIMD) simulations have been used to predict the time-averaged Li NMR chemical shielding for a Li(+) solution. These results are compared to NMR shielding calculations on smaller Li(+)(H(2)O)(n) clusters optimized in either the gas phase or with a polarizable continuum model (PCM) solvent.…
In this communication, we use first-principles based multi-level computational methods to predict the crystal structure of Li4C6O6, the key intermediate material that can be oxidized to Li2C6O6 or reduced to Li6C6O6. This predicted structure leads to an X-ray diffraction (XRD) pattern in good agreement with experiment…
Heteroepitaxial cubic silicon carbide (3C-SiC) is an extremely promising material for micro- and nano-electromechanical systems due to its large Young's modulus. Unfortunately, the heteroepitaxy of 3C-SiC on Si substrate is affected by the high mismatch in the lattice parameters and the thermal expansion coefficients…
A new molecule, 1,3,6,8-tetramethylpyrene (TMPY), with a similar shape to the luminescent material perylene has been successfully synthesized. The co-crystals with perylene doping have been grown and their crystal structure has been clarified by X-ray analysis. Optical spectra indicate that effective energy transfer h…
The effects of the nitrided case produced by gas nitriding processes on the mechanical and corrosion resistance properties of the JIS SACM 645 steel were studied in this paper. JIS SACM 645 steel specimens with different substrate hardness were gas nitrided at 530?C for various nitriding durations. Nitrided specimens…
Two of the most important microstructural features of alloys are the grain size and the secondary dendrite arm spacing (SDAS) and these two factors are shown to combine together to describe the grain morphology. Both grain refinement and the SDAS depend upon alloy composition through constitutional undercooling, but i…
We report the synthesis of a new biscyclometalated yellow phosphorescent dopant iridium(III) bis[2-(2-naphthyl)pyridine](acetylacetonate) (Ir(npy)2acac) and studies of its application in organic light-emitting devices (OLEDs), in which highly efficient yellow-emitting OLEDs with high peak forward viewing efficiencies…
Nanoparticle-based sensor arrays have been used to distinguish a wide range of biomolecular targets through pattern recognition. Such biosensors require selective receptors that generate a unique response pattern for each analyte. The tunable surface properties of gold nanoparticles make these systems excellent candid…
We demonstrate a general strategy to prepare Bi(2)WO(6)/Ag/N-TiO(2) film with double visible-light-active components bridged by Ag nanoparticles as an electron shuttle, which exhibits enhanced photocatalytic activity and photoelectrochemical performance under visible light.
A hybrid nanoscopic capped mesoporous material, that is selectively opened in the presence of nerve agent simulants, has been prepared and used as a probe for the chromo-fluorogenic detection of these chemicals.
Polybenzimidazoles (PBIs) are among the polymers of choice to prepare membranes for high temperature polymer fuel cells. Poly-2,2'(2,6-pyridine)-5,5'-bibenzimidazole (PBI5N), doped with H(3)PO(4), and acid-doped PBI5N containing 10 wt% of imidazole-functionalized silica membranes were studied with thermogravimetric an…
A series of amphiphilic pH-sensitive hybrid polypeptide copolymers, poly(ethylene glycol)-b-poly(L-lysine)-b-poly(L-phenylalanine) (PEG-PLL-PLP) were synthesized. The copolymers could self-assemble into micelles with PLP as the hydrophobic core and PEG-PLL as the hydrophilic shell, as evidenced by 1HNMR and TEM. These…
A systematic quantum chemical investigation on the electronic, geometric and energetic properties of Au(n)V clusters with n = 1-14 in both neutral and anionic states is performed using BP86/cc-pVTZ-PP calculations. Most clusters having an even number of electrons prefer a high spin state. For odd-electron systems, a q…
It is widely accepted that the conversion of the soluble, nontoxic amyloid β-protein (Aβ) monomer to aggregated toxic Aβ rich in β-sheet structures is central to the development of Alzheimer's disease. However, the mechanism of the abnormal aggregation of Aβ in vivo is not well understood. Accumulating evidence sugges…
A new chromogenic protocol has been developed for rapid and selective detection of nerve agents like tabun. The chemsensor displayed a drastic color change from its colorless solution to yellow instantaneously with an 89 nm bathochromic shift. No inference of other chemical warfare agents and its mimics was observed e…
Ab initio molecular dynamics simulations of a recently proposed cobalt-based catalyst for water oxidation provide insight into the properties of protons at the water/oxide interface. Calculations and X-ray absorption spectroscopy data indicate a cubane-like structure of the catalyst, support the occurrence of protonat…
Boron-doped carbon nanorods (BCNRs) were directly grown on carbon-microfiber by the spray pyrolysis chemical vapour deposition method. The stability of the deposited Pt nanoparticles was found to be increased by more than three times with substitutional boron dopants in 3D carbon nanomaterials. Our work will be of gre…
The assembly of Er(3+) and Y(3+) cations with trans,trans-muconic acid affords a photoreactive 3D microporous MOF that, upon UV irradiation, undergoes a cycloaddition reaction (SCSC up to 55%), with in situ formation of a strained ladderane.
In this article, a simple route for modifying the morphology and lithium storage performance of iron oxide composites has been developed by using Ni2+ or Co2+ to substitute Fe3+. The as-prepared MFe2O4 (M = Ni, Co) nanoparticles (∼5 nm) were uniformly distributed on the surface of the carbon substrates. When evaluated…