Materials Literature
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Density-functional theory is used to investigate hydrogen physisorption on a graphene layer and on single wall carbon nanotubes. Both external and internal adsorption sites of (9, 0) and (10, 0) carbon nanotubes have been studied with the hydrogen molecular axis oriented parallel or perpendicular to the nanotube wall.…
The localized surface plasmon resonance (LSPR) of oxide-free Cu nanoparticles fabricated by nanosphere lithography is examined by UV−vis extinction spectroscopy and electrodynamics theory. The LSPR of the Cu nanoparticles is significantly affected by the presence of copper oxides and the removal of the oxide species y…
Abstract Vapour Extraction process is one of the newest emerging technology for heavy oil reservoirs which is based on the injection of hydrocarbon solvents into viscous oil. Despite the fact that no promising field results have been reported so far about the successfulness of VAPEX process, talking about the applicat…
The magneto-mechanical behaviour of structural steel specimens stressed up to a plastic deformation stage using a high- T c scanning SQUID (superconducting quantum interference device) microscope is investigated. The correlation between the gradient of the normal component of the magnetization and dislocation density,…
The good mechanical properties and the high corrosion resistance are some of the most appreciated characteristics of duplex stainless steels, which are now widely used in several application fields. One limit in the duplex stainless steel diffusion derives from their complex structure: The optimal 50%-50% austenite to…
We used in situ annealing small-angle X-ray scattering to monitor the structural evolution of a spherical poly(styrene- b -4-vinylpyridine) diblock copolymer (PS- b -P4VP)/2-phenylethanethiol-coated Au nanoparticle (AuSC 2 Ph) mixture in the solid state during its thermal annealing. We found that the Au nanoparticles…
Formation of thin polymeric films on the surface of silica templates consisting of relatively large colloids creates an opportunity to synthesize carbons with extremely large pore volume and uniform spherical mesopores and macropores. Namely, resorcinol−crotonaldehyde polymeric films formed on the silica templates com…
We reinterpret the scanning-probe Raman spectra shown in the paper of Neacsu et al. [Phys. Rev. B 73, 193406 (2006)] and compare it to a variety of single-molecule surface-enhanced Raman studies. The observed blinking behavior and spectral features must be attributed to carbon contaminations rather than to malachite g…
Solid solutions BiMn1-xMxO3 with M=Al, Sc, Cr, Fe, and Ga and 0<or=x<or=0.2 were prepared at a high pressure of 6 GPa and 1333-1453 K, and their magnetic, thermal, and structural properties were investigated. The orbital-ordered monoclinic phase of BiMnO3 (phase I) is destroyed by a small percentage of substitution. T…
Abstract Here we report the synthesis of 2–5 nm size gold nanoparticle labels for surface‐enhanced Raman Spectroscopy (SERS) based immunoassay to detect protein molecules. The Au nanoparticles were conjugated with fluorescein isothiocyanate (FITC) and goat anti‐h‐IgG (immunoglobin) and the resultant particles were use…
Abstract Poly(ethylene naphthalene‐2,6‐dicarboxylate) has been uniaxially stretched at different draw ratios and at two different temperatures below and above its glass transition ( T g ∼ 120 °C) respectively, at 100 and 160 °C. Crystallinity has been evaluated from calorimetric analyses and compared to the values ded…
Abstract We have studied the lattice vibrational modes of Zr‐substituted Bi 4 Ti 3 O 12 ceramics using micro‐Raman spectroscopy. Replacement of Zr at the Ti site in the perovskite block is found from the increase in the lattice parameters as a function of Zr contents. Combined X‐ray diffraction patterns and Raman anal…
The electromagnetic properties of a bulk sample of high quality single-wall carbon nanotubes with a mean diameter of $2.5\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$ were investigated by noninvasive methods. The observed sudden increase in the microwave absorptivity below $12\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ is taken…
We report the phase structures observed in blends of poly(styrene- b -4-vinylpyridine) (PS- b -P4VP) block copolymer (BCP) and a bent-core molecule 1-[4‘-(3‘ ‘,4‘ ‘,5‘ ‘-tridecyloxybenzoyloxy)phenyleneoxycarbonyl]-3-[(4‘-hydroxyphenyl)oxycarbonyl]benzene (BP). Hydrogen bonding between the terminal −OH group of BP and…
We investigate the bending flexibility of carbon nanotubes (CNTs) with encapsulated C 60 fullerenes, using molecular dynamics (MD) simulations. Our simulations on the bending of the fully ((C 60 ) 12 @ (10,10)) and partially ((C 60 ) 10 @ (10,10)) filled peapods show an 18 and 6.3% increase of the flexural rigidity, a…
Abstract The chain‐extension behavior of 2,2′‐bis(2‐oxazoline) (BOZ) was studied to evaluate the coupling effect on polyamide‐6 (PA6) in a Haake Rheocord mixer and an extruder. The relative torque of PA6 dramatically increased within 1–2 min, and the results were similar whether the added amount of BOZ in PA6 was the…
A periodic density functional modeling study of the partial oxidation of methanol to formaldehyde on an Ag(111) surface is presented. Methoxide binds strongly to the surface, preferentially to the highest coordination adsorption sites, while methanol and formaldehyde are weakly adsorbed far from the surface, with no p…
We report the results of a neutron powder diffraction study of the yttrium tantalates Y 0.785 Ta 0.215 O 1.715 and Y 0.7 Ta 0.3 O 1.8 . In the orthorhombic fluorite-related Y 0.7 Ta 0.3 O 1.8 compound, the Y and Ta atoms were occupationally ordered, and the oxygen ions were localized at around the stable positions. On…
The translational diffusion coefficient D(trans) for rubrene, 9,10-bis(phenylethynyl)anthracene (BPEA), and tetracene in the fragile molecular glass-former sucrose benzoate (SB) (Tg=337 K) was studied as a function of temperature from Tg+3 K to Tg+71 K by use of the holographic fluorescence recovery after photobleachi…
The effect of encapsulation of C 60 fullerenes upon the buckling strength of hosting carbon nanotubes (CNTs) has been investigated, using molecular dynamics (MD) simulations. The simulation results show that encapsulating C 60 fullerenes into some CNTs with diameters larger than that of the (10, 10) CNT, in particular…