Materials Literature
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Concentrated suspensions of model colloidal hard spheres at a wall were studied in real space by means of time-resolved fluorescence confocal scanning microscopy. Both structure and dynamics of these systems differ dramatically from their bulk analogs (i.e., far away from a wall). In particular, systems that are a gla…
We demonstrate the epitaxial growth of hard-sphere hcp and double hcp crystals using a surface pattern that directly dictates the stacking sequence. A detailed three-dimensional analysis based on real-space measurements is performed on crystal structure as a function of template-crystal mismatch, which demonstrates th…
The colloidal synthesis of CdS nanoparticles with the biostabilizers cysteine and glutathione, respectively, at pH values ranging from 4 to 10 is described. For the adjustment of their UV/Vis absorption properties and hence their band gap energies, the Statistical Design of Experiments (DoE) was used. This method allo…
The nanotube handedness is defined for the complete determination of the nanotube atomic structure by its diameter and chirality. The interband electronic optical transition matrix elements are calculated and the dipole selection rules are derived for chiral carbon nanotubes and circularly polarized light propagating…
Sodium atoms and clusters $(N<~5)$ on graphite (0001) are studied using density functional theory, pseudopotentials and periodic boundary conditions. A single Na atom is observed to bind at a hollow site 2.45 \AA{} above the surface with an adsorption energy of 0.51 eV. The small diffusion barrier of 0.06 eV indica…
This paper introduces the findings of a detailed study on space charge behavior under DC voltage and the development of HVDC cable. Conventionally, Oil-filled (OF) and Mass Impregnated (MI) cables have been applied to DC transmission. However, OF cables have a limited span length due to the need for oil feeding equipm…
Abstract Magnetic refrigeration is based on the magnetocaloric effect (MCE) – the ability of some materials to heat up when magnetized and cool down when removed from the magnetic field. The available techniques for studying the MCE are: (i) direct measurements by monitoring the change in material's temperature during…
James A. Moses, Jr; Comprehensive Trail Making Test (CTMT), Archives of Clinical Neuropsychology, Volume 19, Issue 5, 1 August 2004, Pages 703–708, https:/
The temperature dependence of the spontaneous polarization in strontium–barium–niobate single crystals with varying Sr/Ba ratio is presented. The temperature of the relaxor phase-transition is determined from the inflexion point of the curve of the ferroelectric polarization versus temperature. The influence of the Sr…
The present studies describe a new class of hydrogelators based on trimesic amides. The hydrophobic pockets during the gelation process are probed by fluorescence experiments. Single-crystal structures reveal a porous channel architecture with hydrophobic cavities. Multiple material properties such as gelling ability…
In this Brief Report we demonstrate, using density-functional tight-binding theory, that gallium sulfide (GaS) tubular nanostructures are stable and energetically viable. The GaS-based nanotubes have a semiconducting direct gap which grows towards the value of two-dimensional hexagonal GaS sheet and is in contrast to…
Abstract The ferromagnetism of ZnO‐based magnetic semiconductors has been investigated by theoretical calculation and many kinds of experiments. In the Cu‐doped ZnO system, ferromagnetic ordering by Cu magnetic moments does not exist, but Cu‐doped ZnO can have ferromagnetism due to the distortion of the ZnO‐based stru…
Abstract The use of phenyl 2‐pyridyl ketone [(ph)(2‐py)CO] and its oxime [(ph)(2‐py)CNOH] in manganese benzoate chemistry has been investigated. The reaction of an excess of (ph)(2‐py)CNOH with Mn(O 2 CPh) 2 ·2H 2 O affords the mononuclear complex [Mn II (O 2 CPh) 2 {(ph)(2‐py)CNOH} 2 ]·1.2H 2 O ( 1· 1.2H 2 O) in high…
We describe a method to embed phospholipid vesicles into polyelectrolyte multilayers built up by the alternate deposition of polyanions and polycations. Before deposition, the vesicles are rigidified by polycation adsorption onto their surface avoiding their fusion once deposited on the multilayer surface. The vesicle…
The structural and electronic properties of oxygen vacancy ${(V}_{\mathrm{O}})$ defects in cubic and antiferrodistortive (AFD) phases of bulk ${\mathrm{SrTiO}}_{3}$ are investigated using results from first principles pseudopotential calculations. By systematically increasing the supercell size from 40 to 320 atoms, w…
Molecular dynamics simulations have been used to study the driving force of ion irradiation induced interfacial mixing in metal bilayers in which the relative mass of the constituents is considerable. We find no apparent effect of chemical forces, such as heat of mixing or cohesive energy up to 8 keV ion energy, altho…
Effects of temperature changes on the nonequilibrium spin-glass dynamics of a strongly interacting ferromagnetic nanoparticle system (superspin glass) are studied. In contrary to atomic spin glasses, strong cooling rate effects are observed, and no evidence for temperature-chaos is found. The flip time of a magnetic m…
We present a combined experimental and theoretical study of submonolayer heteroepitaxial growth of Ag on Si(111)-7x7 at temperatures from 420 K to 550 K when Ag atoms can easily diffuse on the surface and the reconstruction 7x7 remains stable. STM measurements for coverages from 0.05 ML to 0.6 ML show that there is an…
A growth model and parameters obtained in our previous experimental (scanning tunneling microscopy, KMC) and theoretical (kinetic Monte Carlo simulations, KMC) studies of Ag/Si(111)-(7x7) heteroepitaxy were used to optimise growth conditions (temperature and deposition rate) for the most ordered self-organized growth…
We report on a significant failure of LDA and GGA to reproduce the phase stability and thermodynamics of mixed-valence Li$_x$FePO$_4$ compounds. Experimentally, Li$_x$FePO$_4$ compositions ($0 \leq x \leq 1$) are known to be unstable and phase separate into Li FePO$_4$ and FePO$_4$. However, first-principles calculati…