First-principles study of single intrinsic vacancy formation and its effect on the electronic density states and magnetic moment of V-doped ZnO

We calculated the formation energy of single vacancy in V-doped ZnO in different conditions (oxygen or zinc rich) by first principles. Effect of an intrinsic vacancy on the electronic density of states and magnetic moment of V-doped ZnO (Zn₁₅VO₁₆) with and without single vacancy was also calculated. Our calculation was performed by the CASTEP program within spin-polarized GGA approximation implemented in materials studio software. The formation energy showed that oxygen vacancy inclined to stay far from vanadium (V) and zinc vacancy preferred to stay at a position near V. The calculated formation energy also showed that a zinc vacancy may automatically occur but an oxygen vacancy may not appear automatically. Vanadium doping introduced spin-polarization around Fermi level. For an energy favorable vacancy, an oxygen vacancy had little effect on the electronic density of states. A zinc vacancy made the spin-polarization peaks around Fermi level broaden and decreased their magnitude. For the magnetic moment in energy favorable configurations, an oxygen vacancy had little effect on the magnetic moment; a zinc vacancy significantly decreased the magnetic moment (as high as 63.7%). Changes in magnetic moments were consistent with electronic density of states. Our calculation may interpret various experimental magnetic moment values. Our work also provided a reference for preparing V-doped ZnO-based dilute magnetic semiconductors.     

Femtosecond laser ablation of ZnO nanorods for two-photon-pumped random lasing and optical data storage

Femtosecond laser ablation based on two-photon absorption was employed to cut ZnO nanorods into uniform ZnO nanoparticles of deep subwavelength size. The fabricated ZnO nanoparticles possess a shorter mean transport length for photons at the emission wavelength and a much smaller scattering cross section at the pump wavelength, leading to highly efficient two-photon-pumped random lasing with a low threshold of ??8?mJ/cm². It was demonstrated that the significant enhancement in two-photon luminescence after the irradiation of femtosecond laser pulses could also be utilized for realizing optical data storage.     

Fractional charge and statistics in the fractional quantum spin Hall effect

In this paper, we consider there exist two types of fundamental quasihole excitation in the fractional quantum spin Hall state and investigate their topological properties by both Chern-Simons field theory and the Berry phase technique. By the two different techniques, we obtain the identical charge and statistical angle for each type of quasihole, as well as the identical mutual statistics between two different types of quasihole excitation.     

The effect of the electron-phonon coupling on the thermal conductivity of silicon nanowires

The thermal conductivity of free-standing silicon nanowires (SiNWs) with diameters from 1-3?nm has been studied by using the one-dimensional Boltzmann's transport equation. Our model explicitly accounts for the Umklapp scattering process and electron-phonon coupling effects in the calculation of the phonon scattering rates. The role of the electron-phonon coupling in the heat transport is relatively small for large silicon nanowires. It is found that the effect of the electron-phonon coupling on the thermal conduction is enhanced as the diameter of the silicon nanowires decreases. Electrons in the conduction band scatter low-energy phonons effectively where surface modes dominate, resulting in a smaller thermal conductivity. Neglecting the electron-phonon coupling leads to overestimation of the thermal transport for ultra-thin SiNWs. The detailed study of the phonon density of states from the surface atoms and central atoms shows a better understanding of the nontrivial size dependence of the heat transport in silicon nanowire.     

Strong magnetic instability in correlated metallic Bi(2)Ir(2)O(7)

We report an experimental/theoretical study of single-crystal Bi(2)Ir(2)O(7) that possesses a metallic state with strongly exchange-enhanced paramagnetism. The ground state of Bi(2)Ir(2)O(7) is characterized by the following features: (1) a divergent low-temperature magnetic susceptibility that indicates no long-range order down to 50?mK; (2) strongly field-dependent coefficients of the low-temperature T and T(3) terms of the specific heat; (3) a conspicuously large Wilson ratio R(W)?≈?53.5; and (4) unusual temperature and field dependences of the Hall resistivity that abruptly change below 80?K, without any clear correlation with the magnetic behavior. All these unconventional properties suggest the existence of an exotic ground state in Bi(2)Ir(2)O(7).     

三硼酸铋晶体及其高温熔体结构的拉曼光谱研究

测量了BiB3O6晶体从常温到熔融态的拉曼光谱,考察了其温致结构变化和预测了熔体的结构基元。同时,采用量子化学从头计算和密度泛函理论对拉曼光谱进行了计算和结构分析。结果表明,随着温度的升高,对包含阳离子Bi的外部晶格和[BO3]3-硼氧三角形基团结构的温致结构影响有限,却有效地削弱了[BO4]5-硼氧四面体基团结构,其松弛度增加,稳定性变差,并在熔体结构中彻底消失。研究表明BiB3O6熔体主要以硼氧六元环[B6O12]6-的形式存在,阳离子Bi起电荷平衡作用,其氧配位数为3,有别于晶体中的6。     

Bacterial Reduction of Cr(VI) at Technical Scale—The Malaysian Experience

The bacterial reduction of Cr(VI) from industrial wastewater was evaluated using a 2.0-m³ bioreactor. Liquid pineapple waste was used as a nutrient for the biofilm community formed inside the bioreactor. The use of rubber wood sawdust as packing material was able to immobilize more than 10⁶?CFU?mL^?1 of Acinetobacter haemolyticus cells after 3?days of contact time. Complete reduction of 15?C240?mg?L^?1 of Cr(VI) was achieved even after 3?months of bioreactor operation. Cr(VI) was not detected in the final effluent fraction indicating complete removal of Cr from solution from the flocculation/coagulation step and the unlikely re-oxidation of Cr(III) into Cr(VI). Impatiens balsamina L. and Gomphrena globosa L. showed better growth in the presence of soil?Csludge mixture compared to Coleus scutellarioides (L.) Benth. Significant amounts of Cr accumulated at different sections of the plants indicate its potential application in Cr phytoremediation effort. The bacterial-based system was also determined not to be detrimental to human health based on the low levels of Cr detected in the hair and nail samples of the plant operators. Thus, it can be said that bacterial-based Cr(VI) treatment system is a feasible alternative to the conventional system especially for lower Cr(VI) concentrations, where sludge generated can be used as growth supplement for ornamental plant as well as not detrimental to the health of the workers.     

The Impact of Long-Term In Vitro Expansion on the Senescence-Associated Markers of Human Adipose-Derived Stem Cells

Human adipose-derived stem cells (ASCs) have generated a great deal of excitement in regenerative medicine. However, their safety and efficacy issue remain a major concern especially after long-term in vitro expansion. The aim of this study was to investigate the fundamental changes of ASCs in long-term culture by studying the morphological feature, growth kinetic, surface marker expressions, expression level of the senescence-associated genes, cell cycle distribution and ß-galactosidase activity. Human ASCs were harvested from lipoaspirate obtained from 6 patients. All the parameters mentioned above were measured at P5, P10, P15 and P20. Data were subjected to one-way analysis of variance with a Tukey post hoc test to determine significance difference (P?相似文献   

Shear and extensional rheology of polyacrylonitrile solution: effect of ultrahigh molecular weight polyacrylonitrile

The effect of ultrahigh molecular weight polyacrylonitrile (UHMWPAN) on the shear and extensional rheological behavior of PAN solutions were studied. The PAN solutions were prepared by dissolving medium molecular weight polyacrylonitrile in dilute UHMWPAN/dimethyl sulfoxide solutions. The results of shear rheological measurements indicated that the existence of UHMWPAN reduced the shear-thinning but increased the characteristic relaxation time and the elasticity of PAN solutions. Moreover, the PAN solutions containing UHMWPAN exhibited much more evident strain-hardening behavior than the solution without UHMWPAN. It was found from the results of extensional rheological measurements that the strain hardening and elasticity of PAN solutions increased greatly with the increase of molecular weight or content of UHMWPAN in the solutions. PAN solutions containing a small amount of UHMWPAN have better drawability and favor the increase of jet stretch ratio in dry-jet wet spinning of PAN precursor fibers.     

基于PASCO数据采集装置的激光测速实验探究

探究了基于光多普勒效应和PASCO数据采集装置的激光测速实验,分别获取了液体流速和固体(光纤探针)运动速度的多普勒信号,利用多普勒信号可以测定它们的速度,并用“双光纤测速法”对比说明了测固体运动速度的精度.