Materials Literature
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Fuel cells are likely to play a key role in any low‐carbon economy. Solid oxide fuel cells (SOFCs) are currently capable of sustained and continuous operation on high‐purity fuels, but they must demonstrate that they can overcome a number of challenges before they are commercially viable on a large scale. Fuels such a…
The role of sex chromosomes in sex determination has been well studied in diverse groups of organisms. However, the role of the genes on the sex chromosomes in conferring sexual dimorphism is still being experimentally evaluated. An unequal complement of sex chromosomes between two sexes makes them amenable to sex-spe…
We report the synthesis of quatrefoil-shaped star-cyclic polystyrene, star-cyclic PS, containing a polyhedral oligomeric silsesquioxane (POSS) core via the combination of atom transfer radical polymerization (ATRP) and click chemistry techniques. The obtained star-cyclic PS represents a new chain topology in the categ…
First principles FLAPW- GGA calculations have been performed to predict the structural, electronic, cohesive and magnetic properties for hexagonal WC doped with all 3d metals. The optimized lattice parameters, density of states, cohesive and formation energies have been obtained and analyzed for ternary solid solution…
First-principles FLAPW-GGA calculations have been performed with the purpose to determine the peculiarities of the structural, electronic, magnetic properties and stability for a family of related ether carbides M3W3C and M6W6C (where M= Fe and Co). The geometries of all phases were optimized and their structural para…
In the present work, we describe an anodization process that is able to fully transform a thin Ti metal layer on a conductive glass into a TiO(2) nanotubular array. Under optimized conditions, nanotube electrodes can be obtained that are completely transparent and defect-free and allow electrochromic switching. These…
Evidence obtained by guided-ion-beam mass spectrometry experiments and density functional theory calculations indicates that by adding one oxygen atom with a full octet of valence electrons (O(2-)) to stoichiometric cationic zirconium oxide clusters (ZrO(2))(x)(+) (x = 1-4), a series of anionic clusters (Zr(x)O(2x+1))…
We report on the realization of a high quality distributed Bragg reflector with both high and low refractive index layers lattice matched to ZnTe. Our structure is grown by molecular beam epitaxy and is based on binary compounds only. The high refractive index layer is made of ZnTe, while the low index material is mad…
A study of the adsorption of CO on late 4d and $5d$ transition metal (111) surfaces (Ru, Rh, Pd, Ag, Os, Ir, and Pt) considering atop and hollow site adsorption is presented. The applied functionals include the gradient corrected PBE and BLYP functional, and the corresponding hybrid Hartree-Fock density functionals HS…
Yb 3+ -doped oxyfluoride glass ceramics were fabricated by melt-quenching and subsequent heating. X-ray diffraction and high-resolution transmission electron microscopy analyses evidenced that orthorhombic TbF 3 nanocrystals with a mean size of 22 nm were homogeneously precipitated among the aluminosilicate glass matr…
Nanoelectronic devices smaller than the electron wavelength can be achieved in graphene with current lithography techniques. Here we show that the electronic quantum transport of graphene subwavelength nanodevices presents deep analogies with subwavelength optics. We introduce the concept of electronic diffraction bar…
Working with epitaxial films of Fe, we succeeded in independent control of different scattering processes in the anomalous Hall effect. The result appropriately accounted for the role of phonons, thereby clearly exposing the fundamental flaws of the standard plot of the anomalous Hall resistivity versus longitudinal r…
Excess heat generated in integrated circuits is one of the major problems of modern electronics. Surface phonon-polariton scattering is shown here to be the dominant mechanism for hot charge carrier energy dissipation in a nanotube device fabricated on a polar substrate, such as SiO(2). By use of microscopic quantum m…
We investigate the formation of stable one-dimensional Néel walls in a ferromagnetic slab with finite thickness and finite width. Taking into account the dipolar, the exchange and the uniaxial anisotropic crystalline field interactions, we derive an approximative analytical self-consistent expression that gives the wa…
DFT (density functional theory) and DFT+ U (DFT with Hubbard U correction for the on-site Coulomb repulsion) calculations have been carried out to study the effects of Mn or Fe doping to the energy band structures and optical properties of rutile TiO 2 . Both Fe and Mn doping reduces the overall energy band gap and in…
We calculate the electronic band structure of ABA-stacked trilayer graphene in the presence of external gates, using a self-consistent Hartree approximation to take account of screening. In the absence of a gate potential, there are separate pairs of linear and parabolic bands at low energy. A gate field perpendicular…
Arc-discharge with carbon electrodes containing Ni and Y2O3 in the presence of Fe(CO)5 vapors have been investigated. It is found that unlike the cathode deposit, the web deposited in the chamber contains mainly metallic single-walled carbon nanotubes (SWNTs) as evidenced from Raman and optical absorption spectroscopy…
To clarify the controversy concerning the ferroelectricity of the lower temperature magnetic phases of Eu0.8Y0.2MnO3, hence its multiferroic character, we have studied in detail the temperature dependence of the electric polarization. The existence of a spontaneous polarization in 30K < T < 22K, provides clear evidenc…
We consider a small droplet of water sitting on top of a heated superhydrophobic surface. A toroidal convection pattern develops in which fluid is observed to rise along the surface of the spherical droplet and to accelerate downwards in the interior towards the liquid/solid contact point. The internal dynamics arise…
Abstract Ordered microporous carbon : The mechanism of an electrical double‐layer capacitor containing zeolite‐templated carbons as model microporous materials was investigated in detail (see figure). Its three‐dimensionally ordered and connected micropores were found to greatly reduce ion‐transfer resistance and, the…