Supra-Molecular Structure and Chemical Reactivity of Cellulose I Studied Using CP/MAS 13C-NMR
© 2013 Chunilall et al., licensee InTech. This is an open access chapter distributed under the terms of the
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Klein tunneling in graphene systems under the influence of magnetic field
We study Klein tunneling across a PN junction in monolayer graphene (MLG) and the AB-bilayer graphene (BLG) under the effect of a perpendicular magnetic-field (B-field). In the Klein tunneling process, normally incident electrons in MLG (BLG) are fully transmissive (reflective) upon hitting the junction barrier. When…
Spin Polarization and Quantum Spins in Au Nanoparticles
The present study focuses on investigating the magnetic properties and the critical particle size for developing sizable spontaneous magnetic moment of bare Au nanoparticles. Seven sets of bare Au nanoparticle assemblies, with diameters from 3.5 to 17.5 nm, were fabricated with the gas condensation method. Line profil…
Nanoconfinement-Induced Structures in Chiral Liquid Crystals
We employ Monte Carlo simulations in a specialized isothermal-isobaric and in the grand canonical ensemble to study structure formation in chiral liquid crystals as a function of molecular chirality. Our model potential consists of a simple Lennard-Jones potential, where the attractive contribution has been modified t…
Valence band offsets at zinc-blende heterointerfaces with misfit dislocations: A first-principles study
The electronic states induced by misfit dislocations at zincblende CdTe/CdS, CdS/ZnS, and InP/GaP heterointerfaces and their impacts on the valence band offsets are investigated using first-principles calculations. The (100) and (110) heterointerfaces including perfect edge dislocations with a Burgers vector of $\frac…
Advanced-Microscopy Techniques for the Characterization of Cellulose Structure and Cellulose-Cellulase Interactions
Advanced-Microscopy Techniques for the Characterization of Cellulose Structure and Cellulose-Cellulase Interactions
Integrating experiments and simulations to estimate uncertainty in lattice strain measurements
The investigation of lattice strains has proven to be a viable method for probing the crystal level stress state in deforming polycrystalline samples. Building on the recent availability of high-rate X-ray detectors, we have developed a new technique that combines diffraction data with crystal-based finite element sim…
Low temperature growth of ITO transparent conductive oxide layers in oxygen-free environment by RF magnetron sputtering
Indium Tin Oxide (ITO) thin films were grown at room temperature (RT) in oxygen-free environment by rf-magnetron sputtering on glass and Si(100)-substrates. The effects of argon pressure, sputtering power and film thickness on the electrical and optical properties of ITO films were investigated. For a 100 nm thick ITO…
Synthesis of Triptycene-Based Organosoluble, Thermally Stable, and Fluorescent Polymers: Efficient Host–Guest Complexation with Fullerene
We report a facile synthesis of 2,6-diethynyltriptycene (DET) in high yield. Application of DET as monomer in polymer chemistry has been shown (for the first time) in syntheses of two novel polymers via Sonogashira cross-coupling reaction in high yield. The newly synthesized polymers were characterized by FT-IR, UV–vi…
Ultrasonic properties of composites of polymers and inorganic nanoparticles
The temperature dependencies of ultrasonic velocity and attenuation were measured in composites of inorganic nanoparticles with two types of polymers, poly(urea) elastomer with inorganic Mo6S4I6 nanowires and poly(ϵ-caprolactone) (PCL) with Mo6S3I6 nanowires. Below room temperature large ultrasonic relaxation attenuat…
Chemical Functionalization of Carbon Supported Metal Nanoparticles by Ionic Conductive Polymer via the “Grafting From” Method
Platinum nanoparticles (Pt-NPs) supported on carbon powder are prepared via a water-in-oil microemulsion method and modified by a disulfide aryl initiator either by a postgrafting method or by a one pot in situ “grafting from” method. It is shown that the grafting of the disulfide derivation initiator is quantitative…
Formation of Polymer Networks for Fast In-Plane Switching of Liquid Crystals at Low Temperatures
We formed a polymer structure to enable fast in-plane switching of liquid crystals at low temperatures. The problem of the inevitable slow response at low temperatures was reduced by the formation of in-cell polymer networks in in-plane switching (IPS) cells. The electro-optic characteristics of polymer-networked IPS…
Density Functional Study on Spin-crossover Phenomena of Assembled Complexes, [Fe(NCX)2(bpa)2]n (X = S, Se, and BH3; bpa: 1,2-bis(4-pyridyl)ethane)
Abstract Spin-crossover (SCO) behaviors of Fe(II)-assembled complexes [Fe(NCX)2(bpa)2]n (X = S, Se, and BH3; bpa: 1,2-bis(4-pyridyl)ethane) were explained by using density functional theory (DFT) calculations. The TPSSh/TZVPP method gave accurate energies to all electrons and reasonable spin-transition temperatures. F…
Dark-Field Imaging of Thin Specimens with a Forescatter Electron Detector at Low Accelerating Voltage
A forescatter electron detector (FSED) was used to acquire dark-field micrographs (DF-FSED) on thin specimens with a scanning electron microscope. The collection angles were adjusted with the detector distance from the beam axis, which is similar to the camera length of the scanning transmission electron microscope an…
Wavelength tunable photoluminescence of ZnO1-xSx alloy thin films grown by reactive sputtering
ZnO1−xSx alloy thin films with various S contents were deposited on glass substrates by reactive sputtering. The films were grown in high crystalline quality and strong preferential crystallographic orientation. Variations of the lattice constant c followed Vegard's law. X-ray photoelectron spectroscopy confirmed the…
Crystallization of Micrometer-Sized Particles with Molecular Contours
The crystallization of micrometer-sized particles with shapes mimicking those of tetrabenzoheptacene (TBH) and 1,2:5,6-dibenzanthracene (DBT), both flat polyacenes, in an electric field results in the formation of ordered 2D packings that mimic the plane group symmetries in their respective molecular crystal equivalen…
Energy alignment induced large rectifying behavior in endoheral fullerene dimers
Using the nonequilibrium Green's function formalism combined with density functional theory for quantum transport calculation, we have investigated the electronic transport properties of three endofullerenes Na@C60C60[@F, Na@C60C60, and F@C60C60. The results show that the electronic transport properties of these endof…
Optical spectroscopy of Tm3+ : YAG transparent ceramics
Optical spectroscopy of Tm3+ : YAG transparent ceramics, Thomas, John Tharayil, Tonelli, Mauro, Veronesi, Stefano, Cavalli, Enrico, Mateos, Xavier, Petrov, Valentin, Griebner, Uwe, Li, Jiang, Pan, Yubai, Guo, Jingkun
Low‐Temperature Carbon Monoxide Oxidation with Au–Cu Meatball‐Like Cages Prepared by Galvanic Replacement
Cu meatball-like spheres are prepared by a simple approach and used to obtain Au–Cu meatball-like cages with hollow interiors and porous shells by a galvanic replacement reaction. Characterization indicates that the particles, whose morphology holds promise for catalysis applications, are not comprised of an alloy but…
Anisotropy of optical transitions in ordered ensemble of CdSe quantum rods
We report on the observation of spectral dependence of absorption anisotropy in a CdSe quantum rod (QR) ensemble, which is aligned in a polymer film with a nanocrystal concentration of 2×10(-5) M. The experimental data on the polarization direction and anisotropy factor were obtained for the lowest excitonic transitio…