Materials Literature
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We report scanned probe characterizations of the ferroelectric phase transition in individual barium titanate (BaTiO3) nanowires. Variable-temperature electrostatic force microscopy is used to manipulate, image, and evaluate the diameter-dependent stability of ferroelectric polarizations. These measurements show that…
The plasmonic properties of nanodisk arrays of Pt, Pd, and, for comparison, Ag are studied over a large size and spectral range and analyzed theoretically by an electrostatic model. Pt and Pd nanodisks exhibit broad localized surface plasmons with a higher sensitivity of the plasmon to the disk aspect ratio compared t…
A simple morphogenesis technique for fabricating stable bionic superhydrophobic surfaces at ambient temperature using copper as a model system is presented. The resulting flowerlike cluster coating of copper fatty acid carboxylates (see figure) has a high contact angle of about 162°. This study opens up new avenues fo…
Electrochromic materials change optical properties (darken/lighten) in the presence of a small electric potential difference, making them suitable for many applications. By fabricating porous films from crystalline WO3 nanoparticles (see figure), this state-of-the-art technology has been profoundly advanced. Significa…
We study the pressure dependence of the superconducting transition temperature of an organic superconductor $\beta'$-(BEDT-TTF)$_2$ICl$_2$ by applying the fluctuation exchange method to the Hubbard model on the original two-band lattice at 3/4-filling rather than the single band model in the strong dimerization limit.…
Abstract The Lagrange functions are a family of analytical , complete , and orthonormal basis sets that are suitable for efficient, accurate, real‐space, order‐ N electronic‐structure calculations. Convergence is controlled by a single monotonic parameter, the dimension of the basis set, and computational complexity i…
A method is presented for scoring the model quality of experimental and theoretical protein structures. The structural model to be evaluated is dissected into small fragments via a sliding window, where each fragment is represented by a vector of multiple phi-psi angles. The sliding window ranges in size from a length…
Abstract When a liquid lubricant film fractionates into disjointed liquid bridges, or a unique liquid bridge forms between solid surfaces, capillary forces strongly influence the action of the fluid on the solid surfaces. This paper presents a theoretical analytical model to calculate the normal forces on the solid su…
The effects of isochronal thermal treatments on three $\ensuremath{\gamma}$-irradiation-induced point defects, named the ${E}^{\ensuremath{'}}$, ODC(II), and $\mathrm{H}(\mathrm{I})$ centers, are investigated in various types of commercial silica ($a$-${\mathrm{SiO}}_{2}$). ODC(II) is investigated by means of photolum…
We have applied density functional theory to characterize the bimetallic-bridging intermediate in the reduction of NO to N2O by heme-copper oxidoreductases. The present study provides information of the electronic and vibrational structure of the putative intermediate, and thus, it forms the basis for a quantitative a…
The dynamic behavior of hard chains in disordered materials composed of fixed hard spheres is studied using discontinuous molecular dynamics simulations. The matrix induces entanglements in the chain fluid, i.e., for high matrix densities the diffusion coefficient D scales with the chain length N as D is approximately…
In this work, self‐reinforced silicon nitrides with β‐Si 3 N 4 seeds doped with Re 2 O 3 (Re=Yb, Lu) were investigated. Firstly, the two kinds of seeds were obtained by heating α‐Si 3 N 4 powder with Yb 2 O 3 or Lu 2 O 3 , respectively. Then the self‐reinforced silicon nitride ceramics were prepared by HP‐sintering of…
With the acrylic acid−propionic acid solid solution system, the purification process of organic materials in an inclined column crystallizer under continuous flow and at steady state was investigated. The influences of suspension density and reflux ratio on the separation and purification performance of the inclined c…
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTTEM Imaging of Polymer Multilayer Particles: Advantages, Limitations, and ArtifactsZhixiang Wei, Ilya Gourevich, Lora Field, Neil Coombs, and Eugenia KumachevaView Author Information Department of Chemistry, University of Toronto, 8…
Abstract Highly luminescent dendron‐substituted copolyfluorenes that incorporate surface‐modified cadmium sulfide nanoparticles have been prepared. A small percentage of these nanoparticles can be incorporated into the dendritic structures upon tailoring the interfaces between the ligands on the nanoparticles and the…
A systematic comparison between the decomposed virial formula and the Tsai formula shows that they are mathematically equivalent in calculating the overall average stress of an atomistic system. But in the case of calculating local stress distribution, the former gives ambiguous results, e.g. it gives nonzero normal s…
A series of linear poly(isoprene- b -styrene- b -ethylene oxide) (ISO) triblock copolymers were synthesized to investigate the effects of molecular weight and segregation strength on block copolymer network phases. Analysis of small-angle X-ray scattering (SAXS), dynamic mechanical spectroscopy (DMS), and transmission…
Homogeneous, nanocrystalline La 1 - x Sr x MnO 3 (LSM) powders, with x ∼ 0.15, were synthesized with the epoxide addition sol−gel method. Through this simple technique, sol−gel materials were prepared from methanolic solutions of metal chlorides without the need for alkoxides, polymeric gel agents, or elaborate reacti…
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A systematic study of the ultrafast decay of metalloporphyrins containing various transition metals with partially filled 3d shells and zinc (3d filled) is reported here after excitation in the second excited state of the system (Soret band). Both time-of-flight mass spectrometry and velocity map imaging have been use…