Boron nitride nanotubes as templates for half-metal nanowires

We investigate by means of a GGA + U implementation of density functional theory the electronic and structural properties of magnetic nanotubes composed of an iron oxide monolayer and (n,0) boron nitride (BN) nanotubes, with n ranging from 6 to 14. The formation energy per FeO molecule of FeO covered tubes is smaller than the formation energy of small FeO nanoparticles, which suggests that the FeO molecules may cover the BN nanotubes rather than aggregating locally. Both GGA (PBE) and Van der Waals functionals predict an optimal FeO-BN interlayer distance of 2.94 ?. Depending on the diameter of the tube, novel electronic properties for the FeO covered BN nanotubes were found. They can be semiconductors, intrinsic half-metals or semi-half-metals that can become half-metals if charged with either electrons or holes. Such results are important in the spintronics context.     

Discrete electrostatic charge transfer by the electrophoresis of a charged droplet in a dielectric liquid

We have experimentally investigated the electrostatic charging of a water droplet on an electrified electrode surface to explain the detailed inductive charging processes and use them for the detection of droplet position in a lab-on-a-chip system. The periodic bouncing motion of a droplet between two planar electrodes has been examined by using a high-resolution electrometer and an image analysis method. We have found that this charging process consists of three steps. The first step is inductive charge accumulation on the opposite electrode by the charge of a droplet. This induction process occurs while the droplet approaches the electrode, and it produces an induction current signal at the electrometer. The second step is the discharging of the droplet by the accumulated induced charge at the moment of contact. For this second step, there is no charge-transfer detection at the electrometer. The third step is the charging of the neutralized droplet to a certain charged state while the droplet is in contact with the electrode. The charge transfer of the third step is detected as the pulse-type signal of an electrometer. The second and third steps occur simultaneously and rapidly. We have found that the induction current by the movement of a charged droplet can be accurately used to measure the charge of the droplet and can also be used to monitor the position of a droplet under actuation. The implications of the current findings for understanding and measuring the charging process are discussed.     

Surface tension and aggregation properties of novel cationic gemini surfactants with diethylammonium headgroups and a diamido spacer

A series of novel cationic gemini surfactants with diethylammonium headgroups and a diamido spacer were synthesized, and their surface and bulk properties were investigated by surface tension, electrical conductivity, fluorescence, viscosity, dynamic light scattering (DLS), and transmission electron microscopy (TEM) measurements. An interesting phenomenon, that is, the obvious decline in surface tension upon increasing concentration above the critical micelle concentration (cmc), was found in these gemini surfactant solutions, and two explanations were proposed. This surface tension behavior could be explained by the rapid increase in the counterion activity in the bulk phase or the continued filling of the interface with increasing surfactant concentration above the cmc. More interestingly, not only vesicles but also the surfactant-concentration-induced vesicle to larger aggregate (spongelike aggregate) transition and the salt-induced vesicle and spongelike aggregate to micelle transition were found in the aqueous solutions of these gemini surfactants. The spongelike aggregate that is first reported in the cationic gemini surfactant-water binary system is probably caused by the adhesion and fusion of vesicles at high surfactant concentration.     

Polymersomes in "gelly" polymersomes: toward structural cell mimicry

We demonstrate here the formation of compartmentalized polymersomes with an internal "gelly" cavity using an original and versatile process. Nanosize polymersomes of poly(trimethylene carbonate)-b-poly(L-glutamic acid) (PTMC-b-PGA), formed by a solvent displacement method are encapsulated with a rough "cytoplasm mimic" in giant polymersomes of poly(butadiene)-b-poly(ethylene oxide) PB-b-PEO by emulsion-centrifugation. Such a system constitutes a first step toward the challenge of structural cell mimicry with both "organelles" and "cytoplasm mimics". The structure is demonstrated with fluorescence labeling and confocal microscopy imaging with movies featuring the motion of the inner nanosize polymersomes in larger vesicles. Without "cytoplasm mimic", the motion was confirmed to be Brownian by particle tracking analysis. The inner nanosize polymersomes motion was blocked in the presence of alginate, but only hindered in the presence of dextran. With the use of such high molecular weight and concentrated polysaccharides, the crowded internal volume of cells, responsible for the so-called "macromolecular crowding" effect influencing every intracellular macromolecular association, seems to be efficiently mimicked. This study constitutes major progress in the field of structural biomimicry and will certainly enable the rise of new, highly interesting properties in the field of high-added value soft matter.     

透明导电氧化物CuScO2的密度泛函理论研究

本文利用基于第一性原理的广义梯度近似方法分析研究透明导电氧化物CuScO2能带结构、态密度和杂质能级．计算结果表明,CuScO2的价带区主要由Cu的3d态和O的2p态构成,而导带区主要由Sc的3d态组成．在进行＋U修正之后,随着U参量的增加,CuScO2的导带区发生分裂导致导带扩大,带隙也随之扩大,表明＋U计算能较好地改进CuSc02带隙值;本文还比较分析了各种掺杂元素在CuSc02的杂质能级,发现Mg原子替位掺杂Sc能有效改善CuScO2的P型导电性能．     

Dependence of hole effective mass on nitrogen concentration in W-type strained InAs(N)/GaSb/InAs(N) quantum well lasers

We have investigated the effects of nitrogen N concentration on the properties of hole subbands and effective mass in dilute-nitride type-II InAsN/GaSb laser diodes on InAs substrate with “W” design. Using a 5-bands k·p model, we obtained interesting numerical results for the heavy-hole (hh) and the light-hole (lh) subbands. The hole effective masses were found to be very sensitive to the nitrogen concentration and to the differences in the Luttinger parameters between the well and the barrier. In addition, the hole effective masses are found to be strongly affected by band-anticrossing (BAC) model.     

Cross section calculations for electron impact ionization and elastic scattering from cisplatin

Total cross section for single electron-impact ionization of cisplatin (H₆N₂Cl₂Pt) molecule has been calculated with the binary-encounter-Bethe (BEB) model from the ionization threshold up to 5 keV. To obtain input data for the BEB calculations, geometric and electronic structures of the cisplatin have been studied with quantum chemical methods. Elastic cross section for electron collisions with cisplatin have also been evaluated using independent atom method with static-polarization model potential for incident energies ranging from 50 to 3000 eV. The obtained geometric structure of cisplatin is compared with available experimental and theoretical data. Calculated cross sections have been compared with related cross sections for selected purine and pirimidine bases.     

Relative contributions of porosity and mineralized matrix properties to the bulk axial ultrasonic wave velocity in human cortical bone

Velocity of ultrasound waves has proved to be a useful indicator of bone biomechanical competence. A detailed understanding of the dependence of ultrasound parameters such as velocity on bone characteristics is a key to the development of bone quantitative ultrasound (QUS). The objective of this study is to investigate the relative contributions of porosity and mineralized matrix properties to the bulk compressional wave velocity (BCV) along the long bone axis. Cross-sectional slabs from the diaphysis of four human femurs were included in the study. Seven regions of interest (ROIs) were selected in each slab. BCV was measured in through-transmission at 5 MHz. Impedance of the mineralized matrix (Z_m) and porosity (Por) were obtained from 50 MHz scanning acoustic microscopy. Por and Z_m had comparable effects on BCV along the bone axis (R = −0.57 and R = 0.72, respectively).     

Experimental investigation on the competition between wideband stimulated Brillouin scattering and forward stimulated Raman scattering in water

The utilization of a simple focused optical cell to bring to light the competition between wideband stimulated Brillouin scattering (WSBS) and forward stimulated Raman scattering (FSRS) is investigated experimentally. A pulsed, wide bandwidth second-harmonic Nd:YAG laser is used as the pump source. We found that, the competition between WSBS and FSRS is an alternate process, which one dominated depends on the linewidth and energy of the pump laser, focal length, and optical breakdown.     

Hydrolysis study: Synthesis of novel styrenic Schiff bases derived from benzothiazole

Novel styrenic Schiff base derivatives of benzothiazole are synthesized. The condensation of 4-vinylbenzaldehyde 1 with either benzothiazol-2-amine or 4-methoxy-benzothiazol-2-amine leads to a mixture of two isomers. From 4-methyl-benzothiazol-2-amine and 6-fluoro-benzothiazol-2-amine, the N-(4-vinylbenzylidene)-4-methyl-benzothiazol-2-amine 8 and N-(4-vinylbenzylidene)-6-fluoro-benzothiazol-2-amine 9 are isolated, respectively. The structures of the synthesized Schiff bases are confirmed through a combination of various spectroscopic techniques including IR, UV, ¹H and ¹³C NMR. A kinetic study of the hydrolysis process of derivatives 6 and 9 in buffered aqueous medium at pH 4.4, 7.4 and 8.5 is conducted by UV spectroscopy. It is shown that the hydrolysis of these compounds is a first order reaction showing an increasing rate as the medium acidity is enhanced.