Materials Literature
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The reactivities of the stoichiometric and partially reduced rutile TiO2(110) surfaces towards oxygen adsorption and carbon monoxide oxidation have been studied by means of periodic density functional theory calculations within the Car-Parrinello approach. O2 adsorption as well as CO oxidation are found to take place…
The potential energy landscape (PEL) of binary Lennard-Jones (BLJ) mixtures exhibits local minima, or inherent structures (IS), which are organized into metabasins (MBs). We study the particle rearrangements related to transitions between both successive IS and successive MB for a small 80:20 BLJ system near the mode-…
The far-infrared dielectric response of superlattices (SL) composed of superconducting ${\mathrm{YBa}}_{2}{\mathrm{Cu}}_{3}{\mathrm{O}}_{7}$ (YBCO) and ferromagnetic ${\mathrm{La}}_{0.67}{\mathrm{Ca}}_{0.33}{\mathrm{MnO}}_{3}$ (LCMO) has been investigated by ellipsometry. A drastic decrease of the free-carrier respons…
An oxide bilayer junction has been fabricated by growing a La0.32Pr0.35Ca0.33MnO3 film on 0.5 wt % Nb-doped SrTiO3 crystal, and its behavior under magnetic field is experimentally studied. It is found that external field greatly affected the rectifying property and the resistance of the junction, causing an extremely…
We employ density-functional plane-wave ab initio and tight-binding methods to study the adsorption and migration of carbon adatoms on single-walled carbon nanotubes. We show that the adatom adsorption and migration energies strongly depend on the nanotube diameter and chirality, which makes the model of the carbon ad…
The microscopic details of local particle dynamics is studied in a glass-forming one component supercooled liquid modeled by a Dzugutov potential developed for simple metallic glass formers. Our main goal is to investigate particle motion in the supercooled liquid state, and to ascertain the extent to which this motio…
By visualization of the Barkhausen effect using magnetic force microscopy we are able to provide detailed information about the physical principles that govern the magnetization reversal of a granular ferromagnetic thin film with perpendicular anisotropy. Individual Barkhausen volumes are localized and distinguished a…
Platinum and palladium dendrimer-encapsulated nanoparticles (DENs) were prepared within commercially available, fourth-generation, amine-terminated, poly(amidoamine) dendrimers (G4-NH2). The synthesis is carried out by selectively encapsulating metal complexes within the dendrimer and then reducing the resulting compo…
Single-walled nanotubes (SWNTs) industrially produced and multiwalled nanotubes (MWNTs) we produced by catalysis were investigated by transmission electron microscopy (TEM) and Fourier transform infrared (FTIR) spectroscopy. The observed spectral features, that is the peak position, intensity, and bandwidth, were rela…
Recently we performed a numerical investigation of antireflection coatings that reduce significantly the reflection over a wide range of wavelengths and angles of incidence, and we proposed some experiments to demonstrate their feasibility. We provide a theoretical description of omnidirectional antireflection coating…
Long rod-shaped M13 viruses were used to fabricate one-dimensional (1D) micro- and nanosized diameter fibers by mimicking the spinning process of the silk spider. Liquid crystalline virus suspensions were extruded through the micrometer diameter capillary tubes in a cross-linking solution of glutaraldehyde. Resulting…
We present a scheme for the calculation of linear optical properties by the all-electron full-potential linearized augmented planewave (LAPW) method. A summary of the theoretical background for the derivation of the dielectric tensor within the random-phase approximation is provided together with symmetry consideratio…
The nanostructural and elastic properties of a single polymeric nanofiber extracted from a nanofibrous scaffold are investigated using atomic force microscopy (AFM). AFM imaging of the nanofibers reveals a “shish-kebab” structure. A portion of the nanofiber is suspended over a microscale groove etched on a silicon waf…
A one-dimensional metamaterial is realized using three connected Ω rings printed back-to-back and reversed on two sides of a dielectric substrate. Both transmission and prism experiments are reported, yielding concordant results of the presence of a left-handed frequency band. Experiments show reduced losses and an en…
Gallium-doped nanostructural zinc oxide fibers have been fabricated by vapor-phase transport method of heating the mixture of zinc oxide, gallium oxide, and graphite powders in air. The zinc oxide fibers grew along [002] direction, forming a vertically aligned array that is predominantly perpendicular to the substrate…
The photovoltaic parameters of donor/acceptor blend organic solar cells are highly influenced by several parameters, such as the strength of the acceptor species, the morphology of the film due to the solvent, and the mobility of the free charge carriers. In this work, the open-circuit voltage (Voc) of solar cells bas…
High-performance enhancement-mode semiconducting carbon nanotube field-effect transistors (CNTFETs) are obtained by combining ohmic metal−tube contacts, high-dielectric-constant HfO 2 films as gate insulators, and electrostatically doped nanotube segments as source/drain electrodes. The combination of these elements a…
Many-electron effects often dramatically modify the properties of reduced dimensional systems. We report calculations, based on an ab initio many-electron Green's function approach, of electron-hole interaction effects on the optical spectra of small-diameter single-walled carbon nanotubes. Excitonic effects qualitati…
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Abstract The inclusion of 3d‐impurities Mn(II), Co(II), Ni(II) and Cu(II) in a crystalline precipitate of ZnC 2 O 4 ·2H 2 O is investigated. This study is a part of the systematic one deal with the mechanism of inclusion of 3d‐ions in sparingly soluble oxalate systems. The experiments are carried out in bi‐ end multi‐…