Materials Literature
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The absolute integrated intensity of the single-phonon Raman peak at 1580 cm −1 is calculated for a clean graphene monolayer. The resulting intensity is determined by the trigonal warping of the electronic bands and the anisotropy of the electron–phonon coupling, and is proportional to the second power of the excitati…
Highly accurate experimental structure factors of silicon are available in the literature, and these provide the ideal test for any \emph{ab initio} method for the construction of the all-electron charge density. In a recent paper [J. R. Trail and D. M. Bird, Phys. Rev. B {\bf 60}, 7863 (1999)] a method has been devel…
Stable oxygen sites on a PdO film over a Pd(100) thin structures with a (sqrt{5} times sqrt{5}) R27^circ surface-unit cell are determined using the first-principles electronic structure calculations with the generalized gradient approximation. The adsorbed monatomic oxygen goes to a site bridging two 2-fold-coordinate…
The constrained electron density method of embedding a Kohn-Sham system in a substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454 (1991) and T.A. Wesolowski and A. Warshel, J. Phys. Chem {\bf 97}, 8050 (1993)) is applied with a plane-wave basis and both local and non-local pseudopotentials. Thi…
A novel organometallic compound 2Dioxane.CuCl2.2H2O has been synthesized and structurally characterized by X-ray crystallography. Magnetic susceptibility and zero-field inelastic neutron scattering have also been used to study its magnetic properties. It turns out that this material is a weakly coupled one-dimensional…
We described details of a method to estimate with good accuracy the mosaic angle distributions of microcrystallites (platelets) in exfoliated graphite like Grafoil which is commonly used as an adsorption substrate for helium thin films. The method is based on analysis of resonance field shifts in continuous-wave (CW)…
The tight-binding model of a graphene bilayer is used to find the gap between the conduction and valence bands, as a function of both the gate voltage and as the doping by donors or acceptors. The total Hartree energy is minimized and the equation for the gap is obtained. This equation for the ratio of the gap to the…
We discuss transport through double-gated single-and few-layer graphene devices.This kind of device configuration has been used to investigate the modulation of the energy band structure through the application of an external perpendicular electric field, a unique property of few-layer graphene systems.Here we discuss…
This manuscript investigates the use of arylnickel complexes for the synthesis of functionalized conjugated polymers is. The scope of the catalyst-transfer polycondensation of poly(3-alkylthiophene) using nickel was expanded by functionalizing and isolating the nickel initiator. o-Methyl substituted arylnickel complex…
Abstract Smooth surfaces with compositional heterogeneities at a molecular‐length scale are presented with the goal of disrupting surface–protein interactions. These surfaces are synthesized by utilizing photoinitiated chemical vapor deposition (piCVD) to deposit thin films of random copolymers consisting of highly hy…
PURPOSE: To determine the incidence of nephrogenic systemic fibrosis (NSF) in tertiary care centers of two U.S. universities following the switch from the use of gadodiamide to gadobenate dimeglumine and gadopentetate dimeglumine, and the adoption of restrictive gadolinium-based contrast agent (GBCA) policies. MATERIA…
We fabricated and measured antidot lattices in single layer graphene with lattice periods down to 90 nm. In large-period lattices, a well-defined quantum Hall effect is observed. Going to smaller antidot spacings, the quantum Hall effect gradually disappears, following a geometric size effect. Lattices with narrow con…
Surface effects significantly affect the photoexcitation dynamics of colloidal nanocrystals, but their influence is hard to study because of sample complexity and the typically small extinction coefficient of trap states. Using temperature-dependent time-resolved photoluminescence (PL) measurements, we investigate the…
Strong confinement of charges in few electron systems such as in atoms, molecules and quantum dots leads to a spectrum of discrete energy levels that are often shared by several degenerate quantum states. Since the electronic structure is key to understanding their chemical properties, methods that probe these energy…
A series of manganites Tb1-xHoxMnO3 (0<=x<=0.6) with orthorhombic structure are synthesized and detailed investigations on their multiferroicity are performed. Successive magnetic transitions upon temperature variation are evidenced for all samples, and both the Mn3+ spiral spin ordering and rare-earth spin ordering a…
Trapping of tritium at lattice damage from fusion neutron irradiation is expected to increase the tritium inventory in tungsten components in ITER. The magnitude of this increase depends on the concentration of traps that are produced, and on the depth to which the increased tritium retention extends into the material…
Graphene antidot lattices constitute a novel class of nano-engineered graphene devices with controllable electronic and optical properties. An antidot lattice consists of a periodic array of holes that causes a band gap to open up around the Fermi level, turning graphene from a semimetal into a semiconductor. We calcu…
Ball-flower shaped CuS structures have been synthesized by using mixed copper chloride and thiourea in a simple hydrothermal process employing poly(vinylpyrrolidone) (PVP) as the surfactant. The morphological investigations by field emission scanning electron microscope (FE-SEM) reveal that the ball-flower shaped nano…
The results of modern studies of physicochemical properties and biological activities of nanocrystalline cerium dioxide are generalized. The key methods for its preparation are considered and the prospects for its application in biological research and in medicine are analyzed.
Since glass is a nonequilibrium material, its properties depend on both composition and thermal history. While most prior studies have focused on equilibrium liquid viscosity, an accurate description of nonequilibrium viscosity is essential for understanding the low temperature dynamics of glass. Departure from equili…