Materials Literature
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Water’s behavior differs from that of normal fluids, having more than sixty anomalies. Simulations and theories propose that many of these anomalies result from the coexistence of two liquid phases with different densities. Experiments in bulk water confirm the existence of two local arrangements of water molecules wi…
We study the impact of excluded volume interactions on the orientation statistics of chain segments in polymer gels, and show that nuclear magnetic resonance (NMR) experiments provide a direct and unique measure of excluded-volume effects on the chain statistics. In particular we consider the tensor order parameter, w…
The biaxial nematic phase was recently observed in different thermotropic liquid crystals, namely bent-core compounds, side-chain polymers, bent-core dimers, and organosiloxane tetrapodes. In this work, a series of experiments with a nematic organosiloxane tetrapode where nuclear magnetic resonance (NMR) spectra are c…
The vibrational spectra of the yttrium-doped gold clusters Au4Y, Au5Y, and Au6Y are recorded by using photodissociation techniques and assigned with the aid of DFT calculations. While neutral Au6Y possesses a highly fluxional nonplanar C2v structure, the anion Au6Y− is characterized by a planar cyclic D6h form and can…
X-ray diffraction (XRD) patterns and electron paramagnetic resonance (EPR) powder spectra (9 and 34 GHz) of BaTiO 3 +0.04 BaO+0.5 x Fe 2 O 3 (0.0005≤ x ≤0.02) ceramics were studied to investigate the development of the hexagonal phase (6H modification) of Fe-doped material in dependence upon doping level x and sinteri…
We study the kinetics of the liquid-to-crystal transformation and of gel formation in colloidal suspensions of oppositely charged particles.We analyse, by means of both computer simulations and experiments, the evolution of a fluid quenched to a state point of the phase diagram where the most stable state is either a…
Addition of C(2) radicals to rim sites of carbon nanotube caps with different chiral angles and its relation to the catalyzed growth of single-wall carbon nanotubes are investigated using density functional theory. It is shown that the structure of the armchair and near-armchair caps favors nanotube growth thermodynam…
At high enough concentrations, suspensions of microscopic particles in a liquid can form 'colloidal glasses'. These are metastable amorphous solids in which the particles are trapped by their neighbours but still have some freedom for local Brownian motions. Typically they are 'soft' solids which yield and flow under…
Head over EELS: Reaction of O2 with a hexa-iron(II)-substituted polyoxometalate in water yields a polyoxometalate with “end-on” hydroperoxo groups, {FeIIIO2H}, at the terminal positions. The hydroperoxo moiety, stabilized by hydrogen bonding with water, is unusual for its long OO bond and nearly linear Fe-O-O bond a…
Chemical Approach for PbTe
Recently, Kurakevych et al (2007 Acta Crystallogr. C 63 80) synthesized the boron-rich phase B 13 N 2 by a high-temperature and high-pressure technique. Here, we performed the non-spin-polarized and spin-polarized calculations for B 13 N 2 by mean of first-principles calculations based on density functional theory. Ou…
Using density functional theory calculations, we investigate the electronic structures and field emission properties of carbon nanocones (CNCs). We find that the cohesive and formation energies for various types of CNCs are dependent on the cone angles, while the work function, local density of states, redistribution…
Responses of the photosynthetic activity of Phaeodactylum tricornutum (Bacillariophyta) to organic carbon glycerol were investigated. The growth rate, photosynthetic pigments, 77 K fluorescence spectra, and chloroplast ultrastructure of P. tricornutum were examined under photoautotrophic, mixotrophic, and photoheterot…
Abstract A set of new block copolyimides containing fluorenyl cardo moieties (FR) in the polyimide blocks and poly(ethylene oxide) (PEO) sequences has been prepared using the two‐step method of polyimide synthesis. The combination of both moieties led to novel copolyimides with good solubility in a variety of solvents…
The electrical resistance of individual multiwalled carbon nanotubes and the thermal interface resistance of nanotube arrays are investigated as functions of dc bias voltage used during growth. Nanotubes were grown from Fe 2 O 3 nanoparticles supported on Ti/SiO 2 /Si substrates by microwave plasma chemical vapor depo…
Abstract A series of new indole‐based luminophores ( IIa–d ) were conveniently synthesized through Ullmann reactions. They were well characterized by spectroscopic analyses and exhibited aggregation‐induced emission enhancement (AIEE) properties. By simply changing the aromatic moieties in IIa–d , their maximum emissi…
The knowledge of the stress distribution in the ceramic components of a solid oxide fuel cell (SOFC) is a prerequisite for assessing the risk of failure due to crack formation as well as for predicting its durability. Due to the high temperature span associated with thermal cycles, high thermal gradients, and the mism…
The frequency and temperature dielectric response and the electrical conductivity behavior around the ferroelectric-paraelectric phase transition temperature are studied in the ferroelectric ceramic system (Pb 0.88 Sm 0.08 )(Ti 1-x Mn x )O 3 , with x = 0, 1, 3 at.%.The contribution of the conductive processes to the d…
POMegranate esterification: The above phenolic hydroxyl functionalized organoimido polyoxometalate (POM) undergoes esterification reaction with carboxylic acids in the presence of dicyclohexylcarbodiimide (DCC), to form POM-functionalized esters, providing a convenient and efficient route to prepare POM-based organic/…
Time- and wavelength-resolved pump-probe measurements are performed on the conductive, primary and secondary doped, forms of polyaniline in solution to investigate the relaxation dynamics of photoexcited polarons. Contrasting dynamics observed in the two forms allow investigation of electronic (and structural) relaxat…