Materials Literature
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In the framework of the continuum shell theory, we analytically predict a new phenomenon: the weak localization of optical low-frequency oscillations in carbon nanotubes. We clarify the origin of the localization by means of the concept of the limiting phase trajectory and confirm the obtained analytical results by mo…
Recent research relating to two α+β processed titanium alloys, designed for specific employment in aeroengine fan disc and aerofoil components, is described. Timetal 575 (Ti575) and Timetal 639 (Ti639) are both novel compositions that provide relatively high strength compared to Ti–6Al–4V. Static and cyclic behaviour…
The remarkable properties of highly oriented vertically aligned carbon nanotubes (CNTs) make them attractive for electrical applications, especially for CNT ropes. In this paper, we describe the process to grow long oriented CNT arrays to improve the electrical properties of the devices based on CNTs. Chemical vapour…
Adsorption of electronegative elements on a metal surface usually leads to an increase in the work function and decrease in the binding energy as the adsorbate coverage rises. Using density-functional theory calculations, we show that Cl adsorbed on a Mg(0001) surface complies with these expectations, but adsorption o…
Technologies that control the chemical composition of white lighting-emitting diodes are promising means to enhance thermal properties and renew spectra generation. Although (oxy)nitride red phosphors have been available for more than a decade, the drawbacks of these devices still evidently remain with respect to the…
Crystallographic auto-indexing algorithms provide crystal orientations and unit-cell parameters and assign Miller indices based on the geometric relations between the Bragg peaks observed in diffraction patterns. However, if the Bravais symmetry is higher than the space-group symmetry, there will be multiple indexing…
A novel doubly N-confused isophlorin (2) was prepared by the nucleophilic ring-opening reaction of N-confused, N-fused porphyrin (1) with benzenethiol. The structure, redox property and copper coordination ability of isophlorin 2 were investigated by various spectroscopic methods and theoretical calculations.
The surface tensions of non-hydrogen-bonding, organic liquids can be accurately calculated from their electromagnetic properties, using an approximate form of the Lifshitz theory. A simple extension of this approach to the calculation of the surface tensions of hydrogen-bonding liquids is proposed. It is shown that th…
Small- and wide-angle X-ray scattering (SAXS, WAXS) are standard tools in materials research. The simultaneous measurement of SAXS and WAXS data in time-resolved studies has gained popularity due to the complementary information obtained. Furthermore, the combination of these data with non X-ray based techniques, via…
ZnO is an interesting material for photoactive and optoelectronic devices because of the wide range of available nanostructures and advantageous semiconducting properties. However, a significant drawback of ZnO is the low stability in high or low pH solutions. This has limited the development of ZnO core-shell materia…
With the purpose of improving the hydrogen sorption kinetics of Mg at moderate temperatures, the Mg–TiH 1.971 –VH 2 nanocomposite is synthesized by means of the hydrogen plasma–metal reaction (HPMR) approach. The nanocomposite is consequently hydrogenated and dehydrogenated at 673 K to synthesize Mg–9.6 wt % Ti–2.9 wt…
In recent years, surface-enhanced Raman scattering (SERS) has received renewed attention, because of its nondestructive, ultrasensitive, and rapid analysis, detection, and imaging. Development of SERS substrates with high sensitivity and excellent stability is of great importance to realize its practical applications…
The compressive behavior of graphene foam (GF) and its polymer (polydimethyl siloxane) (PDMS) infiltrated structure are presented. While GF showed an irreversible compressibility, the GF/PDMS structure revealed a highly reversible mechanical behavior up to many cycles of compression and also possesses a six times high…
In various domains ranging from catalysis to medical and environmental sciences, there is currently much focus on the design of surfaces that present active compounds at the interface with their environments. Here, we describe the design of "active surfaces" based on solid-supported monolayers of asymmetric triblock c…
Using first-principles calculations, we investigate the mechanical and electronic properties of phosphorene nanosheets under tensile strains. It is found that phosphorene possesses a prominent anisotropic elasticity with the large anisotropic factor of 15.5. Along the armchair direction, the phosphorene sheet exhibits…
In the present work, we demonstrate the preparation of adaptive hybrid capsules with microgel/SiO 2 composite walls. During the first stage of the capsule synthesis process, microgel particles stabilize the oil droplets in water and become self-assembled on the oil/water interface. At the second stage, microgels are s…
A color center in $c$-BN which is isoelectronic to diamond ${\mathrm{NV}}^{\ensuremath{-}}$ is predicted based on first-principles electronic structure calculations using the Heyd-Scuseria-Ernzerhof hybrid functional. The defect consists of a substitutional oxygen and an adjacent boron vacancy (${\mathrm{O}}_{\mathrm{…
An extensive benchmark of exchange-correlation functionals on the structure of the X-ray resolved phosphine and thiolate-protected Ag14-based nanocluster, named XMC1, is reported. Calculations were performed both on simplified model systems, with the complexity of the ligands greatly reduced, and on the complete XMC1…
A simple Ising-like model for the stacking thermodynamics of ice 1 is constructed for nuclei in supercooled water, and combined with classical nucleation theory. For relative stabilities of cubic and hexagonal ice I within the range of experimental estimates, this predicts critical nuclei are stacking disordered at st…
The diimine-dithiolato ambipolar complexes Pt(dbbpy)(tdt) and Pt(dmecb)(bdt) (dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt(2-) = 3,4-toluenedithiolate; dmecb = 4,4'-dimethoxyester-2,2'-bipyridine; bdt(2-) = benzene-1,2-dithiolate) are prepared herein. Pt(dmecb)(bdt) exhibits photoconductivity that remains constant…