Materials Literature
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The combined kinetic analysis of experimental data for solid-state reactions obtained under different experimental conditions is discussed. It is shown that the combined analysis of experimental data by means of the logarithmic expression of the general differential equation is a suitable method for the determination…
Abstract Valence‐band and core‐level x‐ray photoelectron spectroscopy (XPS) of manganese and its oxides is reported and the valence‐band spectra are interpreted by various calculation models. The focus of this paper is on the valence band, which shows significant differences between the oxides of manganese in the form…
Monitoring changes in ultraviolet-visible (UV-vis) absorption is not a viable method to process information for photochromic memory media due to the readout signal interfering with the photochromism. Only by monitoring the changes in other photophysical properties accompanying the photoisomerization reaction (refracti…
Haloalkane dehalogenase (DhlA) was used as a model protein to explore the possibility to use molecular dynamics (MD) simulations as a tool to identify flexible regions in proteins that can serve as a target for stability enhancement by introduction of a disulfide bond. DhlA consists of two domains: an alpha/beta-hydro…
Abstract The slip behaviour in coherent and semicoherent metallic bilayer composites is examined by atomic simulation in the Cu/Ni and Cu/Ag systems. The coherent interface in Cu/Ni, although energetically unfavourable relative to the semicoherent interface in thick layers, reveals several interesting phenomena. Linea…
Microbiologically influenced corrosion (MC) of steel has been attributed to the activity of biofilms that include anaerobic microorganisms such as iron-respiring bacteria, yet the mechanisms by which these organisms influence corrosion have been unclear. To study this process, we generated mutants of the iron-respirin…
The chemical interactions between single walled carbon nanotubes (SWNTs) and two structurally similar polymers, poly{( m -phenylenevinylene)- co -[(2,5-dioctyloxy- p -phenylene)vinylene]}, or PmPV, and poly{(2,6-pyridinylenevinylene)- co -[(2,5-dioctyloxy- p -phenylene)vinylene]}, or PPyPV, are investigated. The funda…
We report first-principles calculations for optical absorption spectra of hydrogenated silicon clusters in the presence of oxygen on the surface. Our computational technique is based on linear-response theory within the time-dependent local-density approximation (TDLDA). The calculated spectra show that oxidation subs…
This review is concerned with quantum confinement effects in low-dimensional semiconductor systems. The emphasis is on the optical properties, including luminescence, of nanometre-sized microcrystallites, also referred to as zerodimensional systems. There is some discussion on certain of the two-dimensional systems, s…
Carbon nanofibres of the fishbone and parallel types were surface-oxidised by several methods. The untreated and oxidised fibres were studied with infrared spectroscopy, thermogravimetric analysis and X-ray photoelectron spectroscopy (XPS). Oxidation in a mixture of concentrated nitric and sulfuric acids proved to be…
Supramolecular polymers are described that are derived from the association of two homoditopic heterocomplementary monomers through sextuple hydrogen-bonding arrays. They form fibers and a variety of different materials depending on the conditions. The strong affinity of the DAD-DAD (D=donor, A=acceptor) hydrogen-bond…
Single layers of the transition-metal dichalcogenides ${\mathrm{WS}}_{2},$ ${\mathrm{MoS}}_{2},$ and ${\mathrm{MoSe}}_{2}$ were formed as aqueous suspensions by lithium intercalation and exfoliation of crystalline powders and examined by x-ray diffraction and x-ray absorption fine structure (XAFS) spectroscopy. The tw…
Abstract The diagenetic evolution of kaolin and illitic minerals in sandstones is described here. The structural characterization of these minerals, the possible reaction pathways leading to their crystallization, and the origin of the fluids involved are discussed specifically. While early precipitation of kaolinite…
Highly ordered silver nanowire arrays have been obtained by pulsed electrodeposition in self-ordered porous alumina templates. Homogeneous filling of all the pores of the alumina template is achieved. The interwire distance is about 110 nm corresponding to a density of silver nanowires of 61×109 in.−2 and the diameter…
The study of metal deposits on oxides represents a field of wide interest with respect to applications as well as to basic science. The state of the art of the field is reviewed on the basis of examples from various research groups. An attempt is made to define and discuss a series of new experiments that could be und…
The performance of a battery-ultracapacitor hybrid power source under pulsed load conditions is analytically described using simplified models. We show that peak power can be greatly enhanced, internal losses can be considerably reduced, and that discharge life of the battery is extended. Greatest benefits are seen wh…
We have investigated the atomistic structure of the 180\ifmmode^\circ\else\textdegree\fi{} and 90\ifmmode^\circ\else\textdegree\fi{} domain boundaries in the ferroelectric perovskite compound ${\mathrm{PbTiO}}_{3}$ using a first-principles ultrasoft-pseudopotential approach. For each case we have computed the position…
Block copolymers form a large number of superlattices with characteristic dimensions in the range of a few nanometers up to several micrometers by self-organization. The interplay of supramolecular physics and chemistry opens up new approaches to the production of inorganic, organic, and biological structures and to t…
The influence of chemical cross-links between a single-walled fullerene nanotube and a polymer matrix on the matrix−nanotube shear strength has been studied using molecular dynamics simulations. A (10,10) nanotube embedded in either a crystalline or amorphous polyethylene matrix is used as a model for a nonbonded inte…
The development and current status of microwave ferrite technology is reviewed in this paper. An introduction to the physics and fundamentals of key ferrite devices is provided, followed by a historical account of the development of ferrimagnetic spinel and garnet (YIG) materials. Key ferrite components, i.e., circula…