Materials Literature
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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…
Nanoribbons (nanographite ribbons) are carbon systems analogous to carbon nanotubes. We characterize a wide class of nanoribbons by a set of two integers $⟨p,q⟩$, and then define the width $w$ in terms of $p$ and $q$. Electronic properties are explored for this class of nanoribbons. Zigzag (armchair) nanoribbons have…
Materials that are strong, ultralightweight, and tough are in demand for a range of applications, requiring architectures and components carefully designed from the micrometer down to the nanometer scale. Nacre, a structure found in many molluscan shells, and bone are frequently used as examples for how nature achieve…
In this study a combination of laser induced fluorescence (LIF) and principal component analysis (PCA) is used in an attempt to develop a method to detect fungal growth on silicone rubber. Field experiments on aged insulators have been carried out to test whether LIF combined with PCA can give useful information about…
We observed corrosion forming streaks in chloride solutions along abrasion grooves, or grooves formed during rolling, using an in situ difference-imaging technique. Streaking occurred on an abraded zinc-containing alloy AA7075-T6, and also on as-received or abraded and heat-treated alloy AA8006, which is representativ…
[reaction: see text] An ABC core has been synthesized, with two orthogonal protecting groups (PG). This new multifunctional unit allows building of star-shaped molecules with up to three different moieties. The synthesis of a star-shaped mesogen based on an oligobenzoate scaffold with three arms of different lengths i…
An analysis of the bonding structure of nine different amorphous carbon-nitrogen alloys, $a\text{\ensuremath{-}}{\mathrm{C}}_{1\ensuremath{-}x}{\mathrm{N}}_{x}$, of concentrations $0\ensuremath{\leqslant}x\ensuremath{\leqslant}0.45$, is performed on ab initio generated atomic random networks. 216-atom periodically-con…
Luminescence emission and excitation spectra of thin films composed of and are measured and discussed. The coexistence of the two compounds in the same sample gives the opportunity to compare the energy of the fundamental absorption of SrS and in the excitation spectra for the emission in both host matrixes. This work…
The slope of $H∕M$ vs ${M}^{2}$ isotherms is an accepted criterion used to distinguish first-order--discontinuous magnetic phase transitions from second-order--continuous transitions. This criterion is shown to yield the order of not only simple isolated transitions, but also sequential transitions occurring in the Ni…
Electrochemical Reduction of NO x at Intermediate Temperatures Using a Proton-Conducting In3 + -Doped SnP2O7 Electrolyte, Nagao, Masahiro, Yoshii, Takeshi, Hibino, Takashi, Sano, Mitsuru, Tomita, Atsuko
The main focus of this paper is to highlight some of the key criteria in successful utilization of magnetostrictive materials within a cantilever based microelectromechanical system (MEMS). The behavior of coated cantilever beams is complex and many authors have offered solutions using analytical techniques. In this s…
A novel anode catalyst, C-MO-SDC ( carbon∕carbon black, , Ni, Co, ) was synthesized by employing a citrate∕nitrate combustion technique. Carbon materials, e.g., activated carbon and carbon black were first used to improve the solid oxide fuel cell (SOFC) anode properties, especially to improve the microstructure and t…
Electric-field measurements inside a negative-permeability-positive-permittivity metamaterial composed of arrays of split-ring resonators directly show that the theoretically predicted enhancement of evanescent waves in passive materials is physically realizable. To circumvent the extreme sensitivity of this phenomeno…
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The phase behavior of some rodlike block molecules has been reviewed with reference to the polarity of constituent segments. It was found that the ability of the mesophase formation is connected with differences in polar character between the flexible chains and rigid cores. Thus the polar poly(oxyethylene) group conn…
We report on the electrical resistivity and magnetic susceptibility of La or Gd doped $R{\mathrm{CrSb}}_{3}$ ($R=\mathrm{La}$, Pr, Sm, and Gd). Single crystals were grown by increasing the nominal dopant by 25%. In general, two magnetic ordering transitions are found, ${T}_{c1}$ is attributed to ferromagnetic ordering…