Materials Literature
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Semiconductor colloidal quantum dots (QDs) are promising fluorescent probes for biology. Initially synthesized in organic solvents, they can be dispersed in aqueous solution by noncovalent coating with amphiphilic macromolecules, which renders the particles hydrophilic and modifies their interactions with other biolog…
The microscopic network structure of surfactant-stabilized single-wall carbon nanotubes (SWNTs) in water was investigated as a function of SWNT concentration in the semidilute (overlapping) regime using small-angle neutron scattering (SANS). Most of the samples exhibit rigid rod behavior (i.e., Q(-1) intensity variati…
The spin structure in a magnetic dot, which is an example of a quantum few-body system, is studied as a function of exchange coupling strength and dot size with in the semiclassical approximation on a discrete lattice. As the exchange coupli ng is decreased or the size is increased, the ground state undergoes a phase…
We show that in a magnetic nanowire with double magnetic domain walls, quantum interference results in spin-split quasistationary states localized mainly between the domain walls. Spin-flip-assisted transmission through the domain structure increases strongly when these size-quantized states are tuned on resonance wit…
Electronic and transport properties of a short Ni nanowire suspended between two semi-infinite ferromagnetic Ni leads are explored in the framework of density-functional theory. The spin-dependent ballistic conductance of the nanowire is calculated using a scattering-based approach and the Landauer-Buttiker formula. T…
We describe a Continuous Hugoniot Method for the efficient simulation of shock wave fronts. This approach achieves significantly improved efficiency when the generation of a tightly spaced collection of individual steady-state shock front states is desired, and allows for the study of shocks as a function of a continu…
We report the continuous variation of the spin moment of cobalt in ${\mathrm{LaCoO}}_{3}$ across its temperature and pressure-induced spin transitions evidenced with $K\ensuremath{\beta}$ emission spectra. The first thermal transition is best described by a transition to an orbitally nondegenerate intermediate spin $(…
The effective linear and third-order nonlinear optical properties of metallic colloidal crystal immersed in a graded-index host fluid are investigated theoretically. The local electric fields are extracted self-consistently based on the layer-to-layer interactions, which are readily given by the Lekner summation metho…
We present a study of the elongation and rupture of gold-silver alloy nanowires. Atomistic details of the evolution were derived from time-resolved atomic resolution transmission electron microscopy and molecular dynamics simulations. The results show the occurrence of gold enrichment at the nanojunction region, leadi…
We present a quantum Boltzmann equation analysis of the spin-Hall effect in a diffusive Rashba two-dimensional electron system. Within the framework of the self-consistent Born approximation, we consider the roles of disorder-induced quasiclassical relaxation, collisional broadening of the quasiparticles, and the intr…
Single wall carbon nanotubes (SWNT) and multiwall carbon nanotubes (MWNT) were linked to thioglycolic acid (TGA)-capped CdTe nanoparticles (NP) through electrostatic interactions producing photoactive superstructures. The novel nanohybrids were characterized both in the ground and excited states with specific accent o…
Abstract We have developed high‐performance biomass‐based plastics that consist of poly(lactic acid) (PLA) and kenaf fiber, which fixates CO 2 efficiently. Adding this fiber to PLA greatly increases its heat resistance (distortion temperature under load) and modulus and also enhances its crystallization, so the ease o…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTToward a Detailed Understanding of Base Excision Repair Enzymes: Transition State and Mechanistic Analyses of N-Glycoside Hydrolysis and N-Glycoside TransferPaul J. Berti and Joe A. B. McCannView Author Information Department of Chemistry and Department of Biochemistry and B…
Electrospinning is a versatile process used to prepare micro- and nano- sized fibers from various polymers dissolved in volatile solvents. In this report, cellulose and cellulose-heparin composite fibers are prepared from nonvolatile room temperature ionic liquid (RTIL) solvents by electrospinning. RTILs are extracted…
Octamethyl-POSS−HDPE nanocomposites were prepared by the melt mixing route. The rheological and viscoelastic behavior of HDPE−octamethyl-POSS nanocomposites was investigated with a strain-controlled rheometer and dynamic mechanical analysis (DMA). The rheological results show that while at lower filler concentration (…
Half-metallic ferromagnetism in Cu-doped ZnO is predicted by accurate full-potential linearized augmented plane-wave and ${\mathrm{DMol}}^{3}$ calculations based on density functional theory. A net magnetic moment of $1{\ensuremath{\mu}}_{B}$ is found per Cu. At a Cu concentration of 12.5%, total energy calculations s…
We describe a first-principles statistical mechanics approach enabling us to simulate the steady-state situation of heterogeneous catalysis. In a first step, density-functional theory together with transition-state theory is employed to obtain the energetics of the relevant elementary processes. Subsequently the stati…
With the remarkable development of nanotechnology in recent years, new drug delivery approaches based on the state-of-the-art nanotechnology have been receiving significant attention. Nanoparticles, an evolvement of nanotechnology, are increasingly considered as a potential candidate to carry therapeutic agents safely…
The transition of DNA secondary structure from an analogous B to Z conformation modulates the dielectric environment of the single-walled carbon nanotube (SWNT) around which it is adsorbed. The SWNT band-gap fluorescence undergoes a red shift when an encapsulating 30-nucleotide oligomer is exposed to counter ions that…
We report a simple strategy for placing analyte molecules in hot spots between closely spaced nanowires leading to intense SERS enhancement. The results are highly reproducible from experiment to experiment likely because of the regularity of the SERS substrate, which consists of highly ordered and regular silver nano…