Materials Literature
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It is well known that, when a stationary vapor bubble is subject to a sufficiently intense acoustic field, it will grow by rectified heat transfer even in a subcooled liquid. The object of this paper is to study how translation, and the ensuing convective effects, influence this process. It is shown that, depending on…
Decaborane, a molecular boron hydride, was compressed to 131 GPa at room temperature to explore possible non-molecular phases in this system and their physical properties. Decaborane changed its colour from transparent yellow to orange/red above 50 GPa and then to black above 100 GPa, suggesting some transformations.…
In this paper we report a theoretical study of the static dipole polarizability of two one-dimensional structures: (a) linear carbon chains ${\mathrm{C}}_{n}$ $(n=2\ensuremath{-}10)$ and (b) ladderlike planar boron chains ${\mathrm{B}}_{n}$ $(n=4\ensuremath{-}14).$ The polarizabilities of these chains are calculated b…
Despite great technological importance and many investigations, a material with a measured hardness comparable to that of diamond or cubic boron nitride has yet to be identified. Our combined theoretical and experimental investigations led to the discovery of a new polymorph of titanium dioxide, where titanium is nine…
In this paper, we report a theoretical study of the hydrogen abstraction reactions from ethylbenzene by a series of imide-N-oxyl radicals. Geometry optimizations and vibrational frequencies were performed using density functional theory at the B3LYP/6-31G(d,p) level. Single-point energy calculations were carried out a…
The pressure behaviour of a series of transition metal borides has been studied both experimentally and by means of ab initio calculations. X-ray diffraction patterns measured up to ∼50 GPa for VB 2 and ZrB 2 show no obvious phase transition. Bulk moduli of 322 and 317 GPa, respectively, were obtained using a Murnagha…
The title compound, Na2SeO3, contains two crystallographically different Na+ ions, Na1 and Na2. Na1 is coordinated by four monodentate and one chelating SeO32− group, while two monodentate and two chelating selenite ions are attached to Na2. For both Na+ ions, a strongly distorted octahedral coordination results. The…
The charge-density-wave (CDW) transition temperature, T CDW , of ZrTe 3 is found to increase for pressures up to 0.6 GPa, while the superconducting transition temperature, T c , decreases with increasing pressure. According to a band calculation, it is found that the pressure-induced enhancement of the CDW and suppres…
A new intermetallic compound, Mn 3 Ge, has been synthesized by direct reaction of elemental components at 6.2 GPa and 1000°C for 30 min using a belt-type high-pressure apparatus. The compound crystallizes into a cubic structure with the space group Pm 3 m , namely the L1 2 -type (Cu 3 Au-type) structure. The structure…
Sonoluminescing single bubbles driven simultaneously by two harmonic frequencies were recently reported to increase the maximum light output up to a factor of 3 with respect to single mode excitation. In this paper, experimental and numerical results on single-bubble sonoluminescence (SBSL) in an air/water system usin…
On the basis of phase equilibria, the lowest temperatures, T min , above which at high pressures cubic boron nitride crystallization from melt solution is allowable in terms of thermodynamics have been found for a number of systems that include boron nitride.
The effect of various substituents on the hydrolysis and condensation reactions, the initial stages of the mechanism to form silsesquioxanes, are investigated with ab initio electronic structure theory including electron correlation effects. In addition, the role of water molecules on the mechanism is also discussed.
The synthesis of MCM-41-type materials functionalized with 3-mercaptopropyl(methyl) and/or methyl groups has been performed by co-condensation of the corresponding alcoxysilanes and tetramethoxysilane in the presence of CTAB and different amino acids. The presence of the organic moieties in the resulting material has…
The syntheses and structures of the novel Ce-Fe bimetallic complexes [[Fe(sal)2(bpy)]2Ce(NO3)(H2O)3].EtOH and [[Fe(sal)2(bpy)]4Ce2(H2O)11][salH]2.EtOH.3H2O (salH2 = salicylic acid) suggest Fe(3+)-sal2- units and Ce-OC(R)O-Fe bridging contribute to the formation of corrosion inhibitive layers on steel surfaces exposed…
Crystalline boron nanowires with tetragonal structure have been synthesized based on laser ablation of a B/NiCo target; the nanowires are sometimes single crystals and have a droplet at one end of the nanowire; the droplet contains B, Ni and Co elements, which indicates that the vapor-liquid-solid (VLS) mechanism may…
Depending on the number of dimethylsiloxane units in the spacer connecting two banana-shaped molecules either ferroelectric or antiferroelectric switchable polar smectic C phases have been obtained.
Ultrathin crystalline silica layers grown on a Mo(112) substrate have been shown to be a useful silica model oxide support in surface science model catalyst studies. As the oxide support material plays an important role in the catalytic process, a multitechnique surface science study is presented to characterize the m…
Two new mixed-valent triple perovskites, Ba(3)MRu(2)O(9) (M = Li, Na), were grown from reactive hydroxide fluxes. They crystallize in the hexagonal space group P6(3)/mmc, where Ru(V) and Ru(VI) are disordered on only one crystallographic site. Upon cooling, single crystals of Ba(3)NaRu(2)O(9) undergo a complex symmetr…
The degradation of polyethylene terephthalate (PET) in supercritical methanol was investigated with the aim of developing a process for chemical recycling of waste plastics. A batch reactor was used at temperatures of 573–623 K under an estimated pressure of 20 MPa for a reaction time of 2–120 min. PET was decomposed…
Abstract A novel design for 2D isotropic left‐handed metamaterials is presented. One of the main advantages of our proposal is that all the metallizations are placed at parallel stratified planes. Thus, this design can be realized by means of the well known, commonly used planar technology. An analytical model is prov…