Materials Literature
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Heteroepitaxial growth of the Cu–Pt system is investigated using kinetic Monte Carlo simulations based on a semi-empirical description of metal–metal interactions to interpret recent experiments devoted to the formation of mono-atomic copper wires on the steps of the vicinal Pt surface. We show that step decoration oc…
A self-consistent analytical approach was developed to describe the optical properties of an assembly of magneto-plasmonic composite nanoparticles distributed on a dielectric substrate. The proposed theory is based on the effective susceptibility concept in the frame of Green’s function method and accounts for the loc…
Inconsistency regarding the influence of Ar addition on ozone generation in a corona discharge has been found in relevant studies. Unlike in the literature to date, a dielectric barrier discharge (DBD) reactor is adopted in this study. In addition to clarifying whether using Ar as an additive would lead to different t…
The metallothionein levels and metal concentrations in whole body, digestive gland and gills of Crassostrea angulata were analyzed in field samples collected from the River Guadalquivir estuary over several years following a mining waste spill upstream. The subcellular distribution of metals was analyzed to determine…
We have prepared Mg(BH4)2 and then obtained MgB2 through the decomposition of the Mg(BH4)2. Precursor viscous liquid was first prepared by the metathesis reaction of MgCl2 and NaBH4 based on mechanochemical and solution processes. Subsequent drying of the liquid at 180 °C results in the formation of α-Mg(BH4)2, wherea…
A fine line: The generation of significant positive nonlinear effects in asymmetric amino acid catalysis under homogeneous conditions, which can be explained by the model for cooperative catalytic stereoselective pathways, is reported. The addition of an achiral aldehyde generated the multiple interconnected stereosel…
A series of ligands containing two 3,5-dimethylpyrazole units connected to a central fluorescent naphthyl spacer have been used to prepare Ag(I) networks which have been structurally characterised. The ability of Ag(I) ions to tolerate a wide range of coordination environments has resulted in the formation of three di…
Quantum-chemical computations allow one to predict a variety of interesting electronic properties of donor and acceptor substituted conjugated molecules. However, the complexity of such systems often limits physical interpretation of the computations and makes them impossible in larger molecules. In this study, the ex…
We present a new blue-sensitized photopolymer to achieve a higher storage density compared to green/red-recordable media. Photopolymers are prepared based on a two-chemistry system and their holographic recording properties are investigated. A matrix of long and flexible ether units of an epoxy precursor and a multi-c…
Silicon, being in the same group in the periodic table as carbon, plays a key role in modern semiconductor industry. However, unlike carbon nanotube (NT), progress remains relatively slow in silicon NT (SiNT) and SiNT-based heteroarchitectures, which would be the fundamental building blocks of various nanoscale circui…
A statistical model for sintering of solution-processed electrically conducting nanoparticle structures is developed. The model considers thermal expansion of the particles under Joule heating as the driving force of the process. The results are used to explain the fast resistance transition observed for the recently…
Effects of calcination environment (air and nitrogen) and temperature (400°–1000°C) on the structure, optical, photocatalytic, and mechanical properties of ultrathin sol–gel titanium dioxide (TiO 2 ) films were studied. X‐ray diffraction and Raman analysis of the films have shown preferred rutile formation at high cal…
The nonlinear optical properties of thin ZnO film are studied using interferometric autocorrelation (IFRAC) microscopy. Ultrafast, below-bandgap excitation with 6-fs laser pulses at 800 nm focused to a spot size of 1 µm results in two emission bands in the blue and blue-green spectral region with distinctly different…
This paper derives a methodology to enable spatial and temporal control of thermally inhomogeneous molecular dynamics (MD) simulations. The primary goal is to perform non-equilibrium MD of thermal transport analogous to continuum solutions of heat flow which have complex initial and boundary conditions, moving MD beyo…
A weakly nonlinear theory, in terms of the well-known Landau equation, has been developed to describe the nonlinear saturation of the shear-banding instability in a rapid granular plane Couette flow using the amplitude expansion method. The nonlinear modes are found to follow certain symmetries of the base flow and th…
Unique features of the electronic structure and spectra of the C60 (Ih) fullerene and its ions related to the icosahedral symmetry are discussed. The so-called 'accidental' degeneracy of terms in the open electron shells gN and hN (corresponding to four- and fivefold degeneracy of molecular orbitals, respectively) and…
Chloride oxyanions are of interest because of their use as disinfectants and concerns over their accumulation in the environment. A water-soluble manganese porphyrin catalyzes the dismutation of chlorite (ClO2−) to chlorine dioxide (ClO2) through a series of electron- and atom-transfer reactions. A high-valent mangane…
Polymerverkapselte Nanobehälter (PCNs), die zu Kupfer(I)-katalysierten Klick-Reaktionen fähig sind, ermöglichen die Kombination von Gadolinium(III)-Kontrastmitteln für die Kernspintomographie mit dem Cytostatikum Gemcitabin (GMC) in einer theranostischen Plattform (siehe Bild). Die mit Gadolinium(III) verknüpften und…
The room temperature optical absorbance spectra of polymer-embedded and solvent-dispersed germanium (Ge) nanowires are reported. Homogeneous blends of Ge nanowires in a polymer (Kraton) were enabled by hydrophobic organic monolayer passivation of the nanowires, and stable dispersions of nanowires in a solvent were ach…
By applying a homogenization method based on systematic full-electrodynamic complex-band-structure calculations, we deduce the effective permittivity tensor of a uniaxial photonic crystal consisting of consecutive hexagonal arrays of aligned metallic nanorods of finite length. The form of the obtained permittivity ten…