Elastic stress fields caused by a dislocation in Ge x Si1−x /Si film-substrate system

The elastic stress fields caused by a dislocation in Ge_xSi_(1-x) epitaxial layer on Si substrate are investigated in this work. Based on the previous results in an anisotropic bimaterial system,the image method is further developed to determine the stress field of a dislocation in the film-substrate system under coupled condition. The film-substrate system is firstly transformed into a bimaterial system by distributing image dislocation densities on the position of the free surface. Then,the unknown image dislocation densities are solved by using boundary conditions,i.e.,traction free conditions on the free surface. Numerical simulation focuses on the Ge0.1Si0.9/Si film-substrate system. The effects of layer thickness,position of the dislocation and crystallographic orientation on the stress fields are discussed. Results reveal that both the stresses σxx,σxz at the free surface and the stress σxy,σyy,σyz on the interface are influenced by the layer thickness,but the former is stronger. In contrast to the weak dependence of stress field on the crystallographic orientation the stress field was strongly affected by dislocation position. The stress fields both in the film-substrate system and bimaterial system are plotted.     

A simple approach to synthesize nanosized sulfur/graphene oxide materials for high-performance lithium/sulfur batteries

We report on a simple and facile synthesis route for the sulfur/graphene oxide composite via ultrasonic mixing of the nano-sulfur and graphene oxide aqueous suspensions followed by a low-temperature heat treatment. High-resolution transmission and scanning electronic microscopy observations revealed the formation of a highly porous structure consisting of sulfur with uniform graphene oxide coating on its surface. The resulting sulfur/graphene oxide (S/GO) composite exhibited high and stable specific discharge capacities of 591 mAh g^?1 after 100 cycles at 0.1 C and good rate capability. This enhanced electrochemical performance could be attributed to the effective confining the polysulfides dissolution and accommodation of the volume changes during the Li-S electrochemical reaction by the functional groups on the graphene oxide coating layer. Furthermore, the highly developed porous structure of S/GO composite favors the enhanced ion transport and electrolyte diffusion.     

Two intermediate bands solar cells of InGaN/InN quantum dot supracrystals

Two intermediate bands solar cells (2-IBSC) of In _x Ga_1?x N/InN cubic quantum dot supracrystals were designed in this work. Position and width of the two IBs were determined, the performance parameters including short circuit current density, open circuit voltage and photoelectric conversion efficiency were numerically calculated, and their variations with adjustable variables such as In content, average size of QDs and interdot spacing were further discussed. Within a certain range, the influence from these adjustable variables on the first IB stronger than that on the second one was indicated. The cause of the maximum efficiency in the present cell lower than the one of another 2-IBSC with different material [Jenks and Gilmore, J Renew Sustain Energy 2:013111 (2010)] was probed, while the reason for the maximum efficiency of the studying device near to that of 1-IBSC with same material [Zhang and Wei, Appl Phys A 113:75 (2013)] was clarified.     

Performance improvement of electrochromic display devices employing micro-size precipitates of tungsten oxide

In this paper, we studied the effect of micro-size WO₃ precipitates on the electrochromic characteristics based on aging test. The electrochromic mechanism can be effectively investigated by a solid-state TaN/WO₃/ITO capacitor. The experimental results reveal that WO₃ electrochromic devices with optimized aging time of 4 days exhibit a higher optical contrast and longer retention time, which is mainly attributed to the formation of micro-size WO₃ precipitates during aging process. The performance improvement using micro-size WO₃ precipitates has the potential in future large-area window or energy efficient display applications.     

Experimental and DFT investigation of surface degradation of polyvinylidene fluoride membrane in alkaline solution

The degradation processes of polyvinylidene fluoride (PVDF) membranes in alkaline solutions were studied using FTIR, FT-Raman, XPS and density functional theory (DFT) simulations. The activation energies for the degradation paths were calculated by LST/QST search methods. The corresponding Gibbs free energies were calculated using a continuum solvation model. The analysis of the spectra indicates the presence of C=C bonds, hydroxyl and carbonyl groups on PVDF membranes. It can be inferred, from DFT calculations, that defluorination is the energetically favorable path, followed by the formation of C=C bonds. The subsequent hydroxylation and carbonyl formation experience higher activation barriers than the formation of C=C bonds. The results indicate that the theoretical calculations are in accordance with the experimental data.     

Thermal activation and reaction of allyl alcohol on Ni(100)

The thermal chemistry of allyl alcohol (CH₂CHCH₂OH) on a Ni(100) single-crystal surface was studied by the temperature programmed desorption (TPD) and the X-ray photoelectron spectroscopy (XPS). The allyl alcohol adsorbs molecularly on the metal surface at 100 K. Intact molecular desorption from the surface occurs at temperatures around 180 K, but some molecules exhibit chemical reactivity on the surface: activation of the OH, CC, and CO bonds produces η¹(O)-allyloxy CH₂CHCH₂O_(a), η²(C, C) allyl alcohol (C_(a)H₂C_(a)HCH₂OH), and η³(C, C, O)-alkoxide (C_(a)H₂C_(a)CH₂ O_(a)) intermediates. Further thermal activation of allyl alcohol on the surface yields propylene (CH₂CHCH₃), 1-propanol (CH₃CH₂CH₂OH), propanal (CH₃CH₂CHO), and combustion and dehydrogenation products (H₂O, H₂, and CO). Propylene desorbs from the surface at temperatures of around 270 K. Hydrogenation to the η³(C, C, O)-alkoxide intermediate leads to the production of propanal which desorbs from the surface around 320 K, while hydrogenation of the η²(C, C) allyl alcohol intermediate produces 1-propanol, which desorbs at around 310 K. The co-adsorption of hydrogen atoms on the surface enhances the formation of the saturated alcohol, while co-adsorption of oxygen enhances the formation of both the saturated alcohol and the saturated aldehydes.     

Optical properties of a planar metamaterial with chiral symmetry breaking

The optical properties of a planar metamaterial with gammadion-shaped chiral symmetry breaking holes array have been investigated both theoretically and experimentally. The results indicate that the introduction of the chiral symmetry breaking causes the split of the transmission peak and exerts large influence on the optical rotation and circular dichroism. Our metamaterials might have potential applications in future design of plasmonic devices.     

Novel red perovskite phosphor Ca2AlNbO6:Eu for white light-emitting diode application

Eu³⁺-doped perovskite phosphors of Ca₂AlNbO₆ were synthesized from a solid state reaction. A small amount of the Li₂CO₃ flux was found to greatly shorten calcination time and reduce reaction temperature. The structural and optical properties of the samples were systematically investigated. The excitation spectra of Ca₂AlNbO₆:Eu³⁺ reveal two excitation bands at 398 (⁷F₀→⁵L₆) and 466 nm (⁷F₀→⁵D₂), which match well with the two popular emissions from near-UV and blue LED chips. Under blue light excitation, the red emission of Ca₂AlNbO₆:0.05Eu³⁺ is twice more intense than that of (Y_0.95Eu_0.05)₂O₃. The chromaticity coordinates of (Ca_0.95Eu_0.05)₂AlNbO₆ (x=0.654, y=0.346) are close to the standard values (x=0.670, y=0.330) of National Television Standard Committee (NTSC). The optical properties suggest that Ca₂AlNbO₆:Eu³⁺ is an efficient red-emitting phosphor for light-emitting diode applications.     

Emission spectra simulation of calcium plasmas in non-local thermodynamic equilibrium

We use previous high-quality experimental spectra to test the accuracy of atomic data and the validity of the collisional－radiative (CR) model used in this paper. The synthetic spectrum with electron temperature log T_e(K)=6.745 and electron density n_e=6.0×10^{13}cm^{-3}, which almost reproduces the experimental spectra, is presented. Nearly all the features of the experimental spectra were identified. The results of the CR modelling for the emission spectra of calcium plasmas all agree well with the measured spectral line intensities within the experimental error for most of the lines. Furthermore, we make the electron temperature diagnostic through the synthetic spectrum and population fractions of every ionization state as a function of charge state at different electron temperatures, as well as the electron density diagnostic through the intensity ratios of two lines of Be-like calcium and three lines of C-like calcium. A good agreement between the calculated values and the measured ones is found.     

Improving the resolution and the uniformity of AFM tip induced oxide patterns with pulsed voltages

Oxide line patterns were fabricated on the surface of titanium (Ti) film using atomic force microscopy (AFM) tip induced local oxidation technique. The growth behavior of the oxide under static voltages was studied. It was found the lateral growth of the oxide experienced two stages and the growth rate at the initial stage was very high. Pulsed voltages were employed and their effects on the controlling of the oxidation dynamics were examined. The results indicated that the high lateral and vertical growth rates of oxide at the initial stage could be suppressed with pulsed voltages. A minimum line width of 8 nm and highly uniform patterns were obtained with optimized voltage pulses. These results indicated that applying pulsed voltage is an effective method for improving both the resolution and the uniformity of the fabricated structures with scanning probe microscopy (SPM) tip induced local oxidation technique.