Materials Literature
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The magnetic properties of graphene-related materials, and in particular, the spin-polarized edge states predicted for pristine graphene nanoribbons (GNRs) with certain edge geometries have received much attention recently due to a range of possible technological applications. However, the magnetic properties of prist…
The pressure-induced structural changes in perovskite-type (ABO${}_{3}$) Pb-based relaxor ferroelectrics are studied on the basis of in situ single-crystal synchrotron x-ray diffraction and Raman scattering experiments on PbSc${}_{0.5}$Ta${}_{0.5}$O${}_{3}$ and PbSc${}_{0.5}$Nb${}_{0.5}$O${}_{3}$ conducted under hydro…
We report on a convenient nanotechnique to fabricate large-area silver nanocap superlattice arrays templated by the base of porous anodic alumina membranes as robust and cost-efficient surface-enhanced Raman scattering substrate. The topography can be tuned to optimize the enhancement factor by adjusting anode voltage…
Recently some experiments have suggested that graphene epitaxially grown on SiC can exhibit an energy bandgap of 260 meV, which enhances the potential of this material for electronic applications. On this basis, we propose to use spatial doping to generate graphene-on-SiC double-barrier structures. The non-equilibrium…
Magnetic exchange-coupling constants of tri- and dinuclear transition-metal complexes (paddlewheels) have been computed using various ab initio methods. The di- and trinuclear complexes under study may serve as secondary building units in metal-organic frameworks (MOFs). Multi-reference methods such as the complete-ac…
Full sets of elastic constants ${c}_{ij}$ of tetragonal tungsten bronze relaxor ferroelectric Ca${}_{0.28}$Ba${}_{0.72}$Nb${}_{2}$O${}_{6}$ (CBN-28) single crystals are measured above Curie temperature up to 1503 K employing resonant ultrasound spectroscopy. Thermal expansion measurements on as-grown unpoled CBN-28 re…
Fluorescence resonance energy transfer (FRET) in conjugates of CdSe-ZnS semiconductor nanocrystals of different shapes (FRET donors) and an Alexa Fluor organic dye (FRET acceptors) is examined. The dye molecules are chemically conjugated with quantum dots (QDs) or nanorods (NRs) in dimethyl sulfoxide colloidal solutio…
The effect of the external charge trap on the photoluminescence blinking dynamics of individual colloidal quantum dots is investigated with a series of colloidal quantum dot-bridge-fullerene dimers with varying bridge lengths, where the fullerene moiety acts as a well-defined, well-positioned external charge trap. It…
In the present work, we are studying the local conformation of chains in a thin film of polystyrene adsorbed on a solid substrate by using atomistically detailed simulations. The simulations are carried out by using the readily available and massively parallel molecular dynamics code known as LAMMPS. In particular, a…
In this paper, we present strong enhancement of optical properties of hybrid liquid crystal structures functionalized with metallic and semiconductor nanoparticles. Several experiments done in two wave mixing experimental set-up have reported that diffraction efficiency can be improved by up to 14 times by introducing…
A tunable strategy, based on the combination of Surface-Initiated Atom Transfer Radical Polymerization (SI-ATRP) and the Layer by Layer (LbL) deposition of polyelectrolytes, was exploited to design tailor-made polyelectrolyte multilayers (PEM) with unusual nanometric features. The cornerstone of the approach is to use…
Fe@SiO2 and FeSi2@SiO2 nanoparticles with core@shell structure have successfully been synthesized by direct silane silicification of Fe2O3 nanoparticles. The as-prepared samples were characterized by N2 physisorption, X-ray diffraction, transmission electron microscopy, temperature programmed reduction of H2, X-ray ph…
Gadolinium doped ceria (GDC) is a promising alternative electrolyte material for solid oxide fuel cells that offers the possibility of operation in the intermediate temperature range (773–1073 K). To determine the optimal dopant concentration in GDC, we have employed a systematic approach of applying a 3D kinetic latt…
We propose the use of an ultrathin cloak made of an acoustic surface impedance that leads to invisibility for acoustic waves. Unlike current acoustic cloaks that require volumetric metamaterials and a significant shell thickness, the mantle cloak presented here is based on a patterned acoustic metasurface that produce…
Sinkendes Niveau: Der kubische Perowskit BaFeO3 (siehe Bild; Ba blau, Fe braun, O weiß), erhältlich durch eine Oxidation mit Ozon bei tiefer Temperatur, ist ferromagnetisch, mit einem recht großen Moment von 3.5 μB pro Fe-Ion oberhalb eines kleinen kritischen Felds von ca. 0.3 T. Dieser spezifische Ferromagnetismus wi…
In this Article, we investigate hydrogen, methane, and neon encapsulation and adsorption in open carbon nanocones. We exploit the 6–12 Lennard-Jones potential function and the continuous approximation to model the surface binding energies and the molecular forces between these gases and carbon nanocones of varying ver…
A variety of group 4 metal compounds containing the bis(imino)phenoxide backbone were synthesized from the reaction of suitable ligands and group 4 metal alkoxides. They were completely characterized with different spectroscopic techniques and single-crystal X-ray diffraction studies on a few of them. These compounds…
We provide a semiclassical description of the electronic transport through graphene $n$-$p$ junctions in the quantum Hall regime. This framework is known to experimentally exhibit conductance plateaus whose origin is still not fully understood. In the magnetic regime ($E<{v}_{F}B$), we show that the conductance of…
Magnetic iron oxide nanoparticles (Fe-NPs) are considered for various biomedical and neurobiological applications that involve the presence of external magnetic fields. However, little is known on the effects of a magnetic field on the uptake of such particles by brain cells. Cultured brain astrocytes accumulated dime…
Due to increasing concerns about environmental problems, climate change and limited fossil resources, bio-based production of chemicals and polymers is gaining attention as one of the solutions to these problems. Polyhydroxyalkanoates (PHAs) are polyesters that can be produced by microbial fermentation. PHAs are synth…