Materials Literature
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Abstract Microcapsules for self‐healing applications were produced with a melamine‐urea‐formaldehyde (MUF) polymer shell containing two different healing agent candidates, 5‐ethylidene‐2‐norbornene (ENB) and ENB with 10 wt.‐% of a norbornene‐based crosslinking agent (CL), by in situ polymerization in an oil‐in‐water e…
We have carried out an x-ray absorption near-edge structure (XANES) study on a series of misfit-layered cobaltites Ca 3 Co 4− x Mn x O 9+δ ( x = 0, 0.05, 0.1, 0.15). In this system, the average valences of Co and Mn, according to Co and Mn K -edge measurements are about 3.50+ and 3+, respectively. Both the trivalent a…
We study fracture propagation in stretched natural rubber sheets. Experimental results in specimens stretched less than 3.8 times show a monotonic increase in the crack speed with stretch and can be explained by a numerical model based on neo-Hookean theory and Kelvin dissipation. In specimens stretched more than 3.8…
Living on the edge: Three-dimensional reconstructions from electron tomography data recorded from Au/Ce(0.50)Tb(0.12)Zr(0.38)O(2-x) catalysts show that gold nanoparticles (see picture; yellow) are preferentially located on stepped facets and nanocrystal boundaries. An epitaxial relationship between the metal and suppo…
The influence of sulfated pretreatment of TiO 2 on the structure, morphology, and dispersion of gold and photocatalytic properties of Au/TiO 2 were studied. Notable enhancements in the photocatalytic activity of TiO 2 were achieved by deposition of gold onto samples that had previously undergone sulfate treatment foll…
The introduction of hexavacant Dawson-type precursor K(12)[H(2)P(2)W(12)O(48)] x 24 H(2)O into a HOAc/NaOAc (OAc(-) = acetate) buffer system containing (NH(4))(2)[Ce(IV)(NO(3))(6)] and Mn(II)(OAc)(2) x 4 H(2)O led to the isolation of a new compound, Na(20)[Ce(IV)(3)Mn(IV)(2)O(6)(OAc)(6)(H(2)O)(9)](2)[Mn(III)(2)P(2)W(1…
Pristine graphene oxide thin film field effect transistors were fabricated on Si substrates without an additional reduction process. Graphene oxide with an optical band gap of 1.7 eV showed p-type semiconducting behaviour in air and ambipolarity under vacuum. The temperature dependence of conductance confirmed these s…
The static conductivity of the dilute magnetic semiconductor GaMnAs is calculated using the memory function formalism and time-dependent density-functional theory to account for impurity scattering and to treat Hartree and exchange interactions within the hole gas. We find that the Coulomb scattering off the charged i…
The crystal and magnetic structures of the S = 3/2 chain antiferromagnet beta-CaCr2O4 have been investigated by means of specific heat, magnetization, muon relaxation and neutron powder diffraction between 300K and 1.5K. Owing to the original topology of the Cr3+ magnetic lattice, which can be described as a network o…
By means of first-principles simulations, we unambiguously show that improper ferroelectricity in magnetite in the low-temperature insulating phase is driven by charge-ordering. An accurate comparison between monoclinic ferroelectric $Cc$ and paraelectric $P2/c$ structures shows that the polarization arises because of…
Several models of oxygenated and hydrogenated surfaces of Si quantum wells and Si nanocrystals of variable shapes have been constructed in order to assess curvature effects on energy gaps due to the three Si-suboxides. Si-suboxides in partially oxydized models of nanocrystals of spherical shapes (or quantum dots) are…
Gold nanocubes are assembled into clusters of varying numbers and ordering on indium tin oxide substrates. The plasmon coupling in the clusters is studied with both dark-field imaging and finite-difference time-domain calculations. Generally, as a cluster becomes larger and more asymmetric, it exhibits more scattering…
We present a first-principles theory for the active nonlinear microrheology of colloidal model system; for a constant external force on a spherical probe particle embedded in a dense host dispersion, neglecting hydrodynamic interactions, we derive an exact expression for the friction. Within mode-coupling theory, we d…
Recently, the magnetic moment/Mn, $M$, in Mn$_x$Si$_{1-x}$ was measured to be 5.0 $μ_B$/Mn, at $x$ =0.1%. To understand this observed $M$, we investigate several Mn$_x$Si$_{1-x}$ models of alloys using first-principles density functional methods. The only model giving $M = 5.0$ was a 513-atom cell having the Mn at a s…
A simple approach to wafer-scale self-cleaning antireflective hierarchical silicon structures is demonstrated. By employing the KOH etching and silver catalytic etching, pyramidal hierarchical structures were generated on the crystalline silicon wafer, which exhibit strong antireflection and superhydrophobic propertie…
We report the growth of thin films of Sr1-xCaxRuO3 on SrTiO3 and MgO substrates by metalorganic aerosol deposition. The structure and microstructure is characterized by X-ray diffraction and room-temperature scanning tunnelling microscopy (STM), respectively. STM indicates in-plane epitaxy and a small surface roughnes…
Abstract This chapter discusses the concept of a database and its specific application to crystallography. Crystallographic databases generally contain bibliographic and experimental information, which in most cases includes the positions of atoms in the crystal structure together with other data allowing the structur…
We present an x-ray absorption study of the dependence of the V oxidation state on the thickness of LaVO$_3$ (LVO) and capping LaAlO$_3$ (LAO) layers in the multilayer structure of LVO sandwiched between LAO. We found that the change of the valence of V as a function of LAO layer thickness can be qualitatively explain…
We use a homogenization procedure for Maxwell's equations in order to obtain in the local limit the frequency ($ω$) dependent macroscopic dielectric response $ε^M(ω)$ of metamaterials made of natural constituents with any geometrical shape repeated periodically with any structure. We illustrate the formalism calculati…
We study the transition from ballistic to diffusive and localized transport in graphene nanoribbons in the presence of binary disorder, which can be generated by chemical adsorbates or substitutional doping. We show that the interplay between the induced average doping (arising from the non-zero average of the disorde…