Materials Literature
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The pace at which major technological changes take place is often dictated by the rate at which new materials are discovered, and the timely arrival of new materials has always played a key role in bringing advances to our society. It is no wonder then that the so-called combinatorial or high-throughput strategy has b…
We present detailed systematic studies of structural transformations in thin liquid crystal films with the smectic-C to hexatic phase transition. For the first time all possible structures reported in the literature are observed for one material (5 O.6) at the variation of temperature and thickness. In unusual modulat…
In a semiconductor quantum dot, the Px and Py transitions to the polarization eigenstates, |x> and |y>, naturally form a three-level V-type system. Using low-temperature polarized photoluminescence spectroscopy, we have investigated the exciton dynamics arising under strong laser excitation. We also explicitly solved…
Spatially resolved electron energy loss spectroscopy experiments have been performed in an electron microscope on several individual boron nitride (BN) single-, double-, and triple-walled nanotubes, whose diameters and number of shells have been carefully measured. In the low-loss region (from 2 to 50 eV) the spectra…
Using first principles calculations within DFT based on the full potential APW+lo method, we calculated the electronic and magnetic structures for the ferromagnetic and antiferromagnetic states of La2MnNiO6 and analyzed the site projected density of states and electronic band structures. Our calculations show that the…
Results are presented for finding the optimal orientation of an anisotropic elastic material. The problem is formulated as minimizing the strain energy subject to rotation of the material axes, under a state of uniform stress. It is shown that a stationary value of the strain energy requires the stress and strain tens…
I discuss the behaviour of Group 1 and 2 elements under pressure, describing crystallography based on diamond anvil pressure cell experiments and electronic structure calculations. In addition to these precise methods, we discuss more intuitive pictures of both the electronic driving force for the transitions, and the…
We propose the thermodynamical theory of nanodomain tailoring with the help of atomic force microscope electric field in thin ferroelectric-semiconductor films. We modified the existing thermodynamical models of domain formation allowing for the Debye screening, recharging of sluggish surface charge layers caused by e…
This paper reviews the status of molecular dynamics as a method in describing solid-solid phase transitions, and its relationship to continuum approaches. Simulation work done in NiTi and Zr using first principles and semi-empirical potentials is presented. This shows failures of extending equilibrium thermodynamics t…
Analysis indicates that certain types of optically active media are capable of producing negative refraction and focusing of circularly polarized waves. It is established that a slab of such material acts just as Veselago's hypothetical left-handed media lens, providing subwavelength resolution as Sir Pendry's ideal l…
Water-soluble quantum dots (qdots) are now being used in life sciences research to take advantage of their bright, easily excited fluorescence and high photostability. Although the frequent erratic blinking and substantial dark (never radiant) fractions that occur in all available qdots may interfere with many applica…
CO2 chemisorption on the Ni(111), Ni(100), and Ni(110) surfaces was investigated at the level of density functional theory. It was found that the ability of CO2 chemisorption is in the order of Ni(110) > Ni(100) > Ni(111). CO2 has exothermic chemisorption on Ni(110) and endothermic chemisorption on Ni(111), while it i…
This paper presents results of ab initio accuracy thousand atom calculations of colloidal quantum dots and wires using the charge patching method. We have used density functional theory under local density approximation (LDA), and we have corrected the LDA bulk band structures by modifying the nonlocal pseudopotential…
A BN interphase has been deposited by infiltration of a Hi-Nicalon fibre tow in a Low Pressure Chemical Vapour Deposition reactor using a boron nitride molecular precursor: the tris(dimethylamino)borane (TDMAB), an halogen-free precursor. This precursor prevents fibre and CVD apparatus from chemical damage. Then SiC/B…
Pt/Ru-doped ZnO nanophase particles were synthesized using ultrasonic spray pyrolysis. Particles were obtained through decomposition of zinc nitrate and newly developed Pt(IV) and Ru(III) complexes. The particle morphology, phase composition and chemical structure were revealed in accordance to various analysis method…
Films of Poly (methyl methacrylate) filled with different contents of iodine were prepared using the casting technique. The results, obtained by DSC, indicate that, increasing the iodine content leads to a decrease in both Tg and TD of the PMMA films. The UV/VIS spectral analysis for the present system suggests that t…
Crystalline calcium titanate was synthesized by mechanical activation of a mixture of CaO, obtained by thermal treatment of CaCO3, and TiO2 in anatase or rutile form, in a planetary ball mill for 30, 60, 120 and 240 min.. The effect of milling on the solid-state reaction was followed by X-ray diffraction. Changes in p…
The hydrogen storage performances of Mg-C nanocomposites have been studied on materials synthesized by ball milling with and without addition of an organic additive. The main purpose of this work is to study in more detail the cooperative effect observed when both graphite and benzene are added to the milled blend. In…
Abstract We followed crosslinking reactions in the blends of two miscible reactive polymers by either torque rheometry or dynamic rheological measurements. Functional polymers with controlled glass‐transition temperatures ( T g 's), chain lengths, and number of reactive groups per chain were synthesized by bulk radica…
Early stages of hot-electron thermalization in small gold nanoparticles wrapped in an adsorbates shell have been investigated by femtosecond transient absorption spectroscopy. Type-I hot electrons thermalize in 800 fs (to form type-II hot electron) either by scattering with cold conduction band electrons or by chemica…