Materials Literature
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The synthesis and characterization of benzyl-spaced aminopropyl-functionalized mesoporous silica is reported by a method designed to reduce silanol-amine and amine-amine interactions. The new material is characterized by N(2) physisorption, thermogravimetric analysis, potentiometric titration, X-ray diffraction, FT-Ra…
The reaction of CoCl2.6H2O, 1,2,4-triazole, and H(2)O at 200 degrees C for 96 h yields purple rods of [Co2(trz)3Cl] (1; trz = 1,2,4-triazolate) in 90% yield. The structure of 1 consists of {Co(trz)3}n(n-) chains of Co(II) sites linked through tetrahedral sites of {CoN(3)Cl} geometry into a three-dimensional framework.…
Silica-supported manganese oxide catalysts with loadings of 3, 10, 15, and 20 wt % (as MnO2) were characterized with use of X-ray absorption spectroscopy and X-ray diffraction (XRD). The edge positions in the X-ray absorption spectra indicated that the oxidation state for the manganese decreased with increasing metal…
The nature of deep defect states, in general, and those associated with group III elements (Ga, In, Tl) in narrow band-gap IV-VI semiconductors (PbTe and PbSe), in particular, have been of great interest over the past three decades. We present ab initio electronic structure calculations that give a new picture of thes…
Abstract We report a study on polymer‐mediated immobilization of non‐aggregated Ag nanoparticles on planar glass substrates and the resultant surface‐enhanced Raman scattering (SERS) activity using Rhodamine 6G (R6G) as a model molecule. Ag colloidal solution with an average particle diameter of 70 nm was prepared by…
We report a phase switch Monte Carlo (PSMC) method study of the freezing line of the Lennard-Jones (LJ) fluid. Our work generalizes to soft potentials the original application of the method to hard-sphere freezing and builds on a previous PSMC study of the LJ system by Errington [J. Chem. Phys. 120, 3130 (2004)]. The…
Magnetization measurements of a truly axial symmetry ${\mathrm{Mn}}_{12}\mathrm{\text{\ensuremath{-}}}t\mathrm{BuAc}$ molecular nanomagnet with a spin ground state of $S=10$ show resonant tunneling. This compound has the same magnetic anisotropy as ${\mathrm{Mn}}_{12}\mathrm{\text{\ensuremath{-}}}\mathrm{Ac}$ but the…
A class of realizable active media exists for which the refractive index cannot be defined as an analytic function in the upper half-plane of complex frequency. The conventional definition of the refractive index based on analyticity is modified such that it is valid for active media in general, and associated Fresnel…
Electromigration-induced step bunching in the presence of sublimation or deposition is studied theoretically in the attachment-limited regime. We predict a phase transition as a function of the relative strength of kinetic asymmetry and step drift. For weak asymmetry the number of steps between bunches grows logarithm…
A program for calculating the semi-classic transport coefficients is described. It is based on a smoothed Fourier interpolation of the bands. From this analytical representation we calculate the derivatives necessary for the transport distributions. The method is compared to earlier calculations, which in principle sh…
We use molecular dynamics computer simulations to investigate the local motion of the particles in a supercooled binary liquid. Using the concept of the distance matrix, we find that the alpha relaxation corresponds to a small number of crossings from one metabasin to a neighboring one. Each crossing is very rapid and…
Alkali halide (100) surfaces are anomalously poorly wetted by their own melt at the triple point. We carried out simulations for NaCl(100) within a simple (BMHFT) model potential. Calculations of the solid-vapor, solid-liquid and liquid-vapor free energies showed that solid NaCl(100) is a nonmelting surface, and that…
The positions of atoms forming a carbon nanotube are usually described by using a system of generators of the symmetry group. Each atomic position corresponds to an element of the set Z x {0,1,...,n} x {0,1}, where n depends on the considered nanotube. We obtain an alternate rather different description by starting fr…
We report on the rapid production, characterization, and spectral properties of highly uniform, ultra narrow semiconductor (ZnS, ZnSe, CdS, CdSe) nanorods and nanowires by microwave irradiation. Quantum-confinement effects are manifested in the light absorption and the PL of the rods and wires. The uniformity of the r…
Single metallic bowtie nanoantennas provide a controllable environment for surface-enhanced Raman scattering (SERS) of adsorbed molecules. Bowties have experimentally measured electromagnetic enhancements, enabling estimation of chemical enhancement for both the bulk and the few-molecule regime. Strong fluctuations of…
A novel sol–gel method was used to synthesize homogeneous and nanosized (1− x )BiScO 3 − x PbTiO 3 ceramic powders. During the processing for preparing the sol, the pH value must be strictly controlled to avoid precipitates. Ethylene glycol (EG) or polyethylene glycol (PEG) was added separately to stabilize the sol, a…
We report a detailed study of the stationary points (zero-force points) of the potential energy surface (PES) of a model structural glassformer. We compare stationary points found with two different algorithms (eigenvector following and square gradient minimization), and show that the mapping between instantaneous con…
We realized a planar multireflection glass system to investigate the localized surface plasmon resonance (LSPR) of gold nanoparticles. These nanospheres were realized in situ using an original and simple chemical growth method that is described. We were able to observe resonance phenomena as reflected by variations in…
A novel method for preparing poly(propylene-graft-2-methacrylic acid 3-(bis-carboxymethylamino)-2-hydroxy-propyl ester)-silver fibers (PPG-IAg fibers) by plasma-induced grafting polymerization is presented in this study. The chelating groups, -N(CH2COO-)2 (GMA-IDA), on the surface of the PPG-I fibers are the coordinat…
In this work, we propose a combined photochemical?chemical method that enables us to grow CdS nanoparticles with ?ngstr?m precision. CdS nanoparticles were formed through a photo-induced reaction between CdSO4 and Na2S2O3. Thioglycerol (C3H8O2S) was used as the capping agent. Fine tuning of the size was subsequently c…