Comparison of laser-induced damage in Ta2O5 and Nb2O5 single-layer films and high reflectors

Ta2O5 and Nb2O5 films are deposited on BK7 glass substrates using an electron beam evaporation method and are annealed at 673 K in the air.In this letter,comparative studies of the optical transmittance,microstructure,chemical composition,optical absorption,and laser-induced damage threshold(LIDT) of the two films are conducted.Findings indicate that the substoichiometric defect is very harmful to the laser damage resistance of Ta2O5 and Nb2O5 films.The decrease of absorption improves the LIDT in films deposited by the same material.However,although the absorption of the Ta2O5 single layer is less than that of the Nb2O5 single layer,the LIDT of the former is lower than that of the latter.High-reflective(HR) coatings have a higher LIDT than single layers due to the thermal dissipation of the SiO2 layers and the decreased electric field intensity(EFI).In addition,the Nb2O5 HR coating achieves the highest LIDT at 25.6 J/cm 2 in both single layers and HR coatings.     

Effect of carrier mobility on performance of perovskite solar cells

The high carrier mobility and long diffusion length of perovskite material have been regarded because of its excellent photovoltaic performance. However, many studies have shown that a diffusion length longer than 1 μm and higher carrier mobility have no positive effect on the cells' performance. Studies of organic solar cells have demonstrated the existence of an optimal mobility value, while systematic research of the carrier mobility in the PSCs is very rare. To make these questions clear, the effect of carrier mobility on perovskite solar cells' performance is studied in depth in this paper by simulation.Our study shows that the optimal mobility value of the charge transportation layer and absorption layer are influenced by both doping concentration and layer thickness. The appropriate carrier mobility can reduce the carrier recombination rate and enhance the carrier concentration, thus improving the cells' performance. A high efficiency of 27.39% is obtained in the simulated cell with the combination of the optimized parameters in the paper.     

Light scattering of nanocrystalline TiO2 film used in dye-sensitized solar cells

This paper studies the light scattering and adsorption of nanocrystalline TiO2 porous films used in dye-sensitized solar cells composed of anatase and/or rutile particles by using an optical four-flux radiative transfer model. These light properties are difficult to measure directly on the functioning solar cells and they can not be calculated easily from the first-principle computational or quantitative theoretical evaluations. These simulation results indicate that the light scattering of 1 25 nm TiO2 particles is negligible, but it is effective in the range of 80 and 180 nm. A suitable mixture of small particles （10 nm radius）, which are resulted in a large effective surface, and of larger particles （150 nm radius）, which are effective light scatterers, have the potential to enhance solar absorption significantly. The futile crystals have a larger refractive index and thus the light harvest of the mixtures of such larger rutile and relatively small anatase particles is improved in comparison with that of pure anatase films. The light absorption of the 10μm double-layered films is also examined. A maximal light absorption of double-layered film is gotten when the thickness of the first layer of 10 urn-sized anatase particles is comparable to that of the second larger rutile layer.     

The Near Surface Morphology of P3HT：PCBM Blend Films Studied by Near-Edge X-Ray Absorption Fine Structure

The microstructure of poly（3-hexylthiophene） （P3HT） and [6,6]-phenyl-C61 butyric acid methyl ester （PCBM） blends with various annealing temperatures are investigated in detail by the near-edge x-ray absorption fine structure. Under higher anneMing temperature （Tanneal ≥ 160℃）, P3HT shows an unusual fluidity and aggregation in the surface. After annealing, the enrichment polymer component recrystallizes and forms a single P3HT phase layer in the surface of blend films. Moreover, it gives direct evidence of the PCBM content diffusing to the near surface of blend films during annealing treatment. These findings are beneficial to improving the morphology of polymer/fullerene blend films.     

Photoactive area modification in bulk heterojunction organic solar cells using optimization of electrochemically synthesized ZnO nanorods

In this work, Zn O nanorod arrays grown by an electrochemical deposition method are investigated. The crucial parameters of length, diameter, and density of the nanorods are optimized over the synthesize process and nanorods growth time. Crystalline structure, morphologies, and optical properties of Zn O nanorod arrays are studied by different techniques such as x-ray diffraction, scanning electron microscope, atomic force microscope, and UV–visible transmission spectra.The Zn O nanorod arrays are employed in an inverted bulk heterojunction organic solar cell of Poly(3-hexylthiophene):[6-6] Phenyl-(6) butyric acid methyl ester to introduce more surface contact between the electron transporter layer and the active layer. Our results show that the deposition time is a very important factor to achieve the aligned and uniform Zn O nanorods with suitable surface density which is required for effective infiltration of active area into the Zn O nanorod spacing and make a maximum interfacial surface contact for electron collection, as overgrowing causes nanorods to be too dense and thick and results in high resistance and lower visible light transmittance. By optimizing the thickness of the active layer on top of Zn O nanorods, an improved efficiency of 3.17% with a high FF beyond 60% was achieved.     

Dependence of InGaN solar cell performance on polarization-induced electric field and carrier lifetime

The effects of Mg-induced net acceptor doping concentration and carrier lifetime on the performance of a p-i-n InGaN solar cell are investigated. It is found that the electric field induced by spontaneous and piezoelectric polariza- tion in the i-region could be totally shielded when the Mg-induced net acceptor doping concentration is sufficiently high. The polarization-induced potential barriers are reduced and the short circuit current density is remarkably increased from 0.21 mA/cm2 to 0.95 mA/cm2 by elevating the Mg doping concentration. The carrier lifetime determined by defect density of i-InGaN also plays an important role in determining the photovoltaic properties of solar cell. The short circuit current density severely degrades, and the performance of InGaN solar cell becomes more sensitive to the polarization when carrier lifetime is lower than the transit time. This study demonstrates that the crystal quality of InGaN absorption layer is one of the most important challenges in realizing high efficiency InGaN solar cells.     

Improved performance of P3HT：PCBM solar cells by both anode modification and short-wavelength energy utilization using Tb（aca）3phen

The performance of P3HT:PCBM solar cells was improved by anode modification using spin-coated Tb(aca)3phen ultrathin films. The modification of the Tb(aca)3phen ultrathin film between the indium tin oxide(ITO) anode and the PEDOT:PSS layer resulted in a maximum power conversion efficiency(PCE) of 2.99% compared to 2.66% for the reference device, which was due to the increase in the short-circuit current density(Jsc). The PCE improvement could be attributed to the short-wavelength energy utilization and the optimized morphology of the active layers. Tb(aca)3phen with its strong down-conversion luminescence properties is suitable for the P3HT:PCBM blend active layer, and the absorption region of the ternary blend films is extended into the near ultraviolet region. Furthermore, the crystallization and the surface morphology of P3HT:PCBM films were improved with the Tb(aca)3phen ultrathin film. The ultraviolent–visible absorption spectra,atomic force microscope(AFM), and X-ray diffraction(XRD) of the films were investigated. Both anode modification and short-wavelength energy utilization using Tb(aca)3phen in P3HT:PCBM solar cells led to about a 12% PCE increase.     

Thickness dependence of surface morphology and charge carrier mobility in organic field-effect transistors

With the aim of understanding the relationships between organic small molecule field-effect transistors (FETs) and organic conjugated polymer FETs, we investigate the thickness dependence of surface morphology and charge carrier mobility in pentacene and regioregular poly (3-hexylthiophene) (RR-P3HT) field-effect transistors. On the basis of the results of surface morphologies and electrical properties, we presume that the charge carrier mobility is largely related to the morphology of the organic active layer. We observe that the change trends of the surface morphologies (average size and average roughness) of pentacene and RR-P3HT thin films are mutually opposite, as the thickness of the organic layer increases. Further, we demonstrate that the change trends of the field-effect mobilities of pentacene and RR-P3HT FETs are also opposite to each other, as the thickness of the organic layer increases within its limit.     

Nonlinear optical properties of Au/PVP composite thin films

Colloidal Au and poly（vinylpyrrolidone） （PVP） composite thin films are fabricated by spin-coating method. Linear optical absorption measurements of the Au/PVP composite films indicate an absorption peak around 530 nm due to the surface plasmon resonance of gold nanoparticles. Nonlinear optical properties are studied using standard Z-scan technique, and experimental results show large optical nonlinearities of the Au/PVP composite films. A large value of χ^（3）/α up to 0.56× 10-^10esu·cm is obtained, which is comparable to the best values reported in metal/oxlde composite films.     

Effect of slow-solvent-vapour treatment on performance of polymer photovoltaic devices

In this work, enhanced poly(3-hexylthiophene):[6,6]-phenyl-C61-butyric acid methyl ester (P3HT:PCBM) bulkheterojunction photovoltaic devices are achieved via slow-solvent-vapour treatment. The correlations between the morphology of the active layer and the photovoltaic performance of polymer-based solar cell are investigated. The active layers are characterized by atomic force microscopy and optical absorption. The results show that slow-solventvapour treatment can induce P3HT self-organization into an ordered structure, leading to the enhanced absorption and efficient charge transport.     

Spontaneous magnetization and resistivity jumps in bilayered manganite （La0.8Eu0.2）4/3Sr5/3Mn2O7 single crystals

Owing to the inhomogeneous state resulting from the doping of a small number of Eu ions into Laa/3Sr5/3Mn2O7, from the resulting single crystal （La0.8Eu0.2）a/3Sr5/3Mn2O7 we have observed the magnetization jump, the resistivity jump, as well as the relaxation phenomena. For （Lao.sEuo.2）a/3Sr5/3Mn2O7, it has a very delicate ground state due to the interplays among spin, charge, orbital, lattice degrees of freedom. Consequently, the magnetization state is sensitive to temperature, magnetic field, as well as time. Meanwhile, the evolution of the magnetization with time shows a spontaneous jump when both the temperature and the magnetic field are constant. Similar step-like behaviours are also observed in resistivity. All these results suggest that Eu doping can greatly modulate the physical properties of Laa/3Sr5/3Mn2O7 and cause such interesting behaviours.     

Effect of magnetic field on the spin-Peierls transition in single-crystal CuGeO

This paper reports that high quality CuGeO3 single crystals were successfully grown by floating-zone technique and the magnetic property was studied. The temperature dependence of magnetic susceptibility below the spin-Peierls （SP） transition temperature （Tsp） under magnetic fields applying along both the a- and c-axis direction can be fitted well by a model of noninteracting dimmers. The spin gap derived from the fitting is consistent with other reports. There is a very weak anisotropy in the fitting parameters for different directions, which should be expected from a SP system. A small upturn in susceptibility at low temperature due to paramagnetic impurities and/or defects can be observed. A suppression of the upturn by magnetic field is first discovered in this system and the possible origins for this suppression are discussed.     

Deceleration of a continuous-wave （CW） molecular beam with a single quasi-CW semi-Gaussian laser beam

We propose a promising scheme to decelerate a CW molecular beam by using a red-detuned quasi-cw semi-Gaussian laser beam （SGB）. We study the dynamical process of the deceleration for a CW deuterated ammonia （ND3） molecular beam by Monte-Carlo simulation method. Our study shows that we can obtain a ND3 molecular beam with a relative average kinetic energy loss of about 10% and a relative output molecular number of more than 90% by using a single quasi-cw SGB with a power of 1.5kW and a maximum optical well depth of 7.33mK.     

Electron spin resonance study of the Ba-doping manganite Nd0.5Sr0.5MnO3

We have performed magnetization measurements and electron spin resonance （ESR） on polycrystalline manganites of Nd0.5Sr0.5-xBaxMnO3 （x = 0.1）. Phase separation and phase transitions are observed from the susceptibility and the ESR spectra data. Between 260 K （～ Tc） and 185 K （～ TN）, the system coexists of the paramagnetic phase and the ferromagnetic （FM） phase. Between 185 K and 140 K, the system coexists of the FM phase and the antiferromagnetic （AFM） phase. These results indicate that the system has a very complex magnetic state due to the origin of the instability stemming from manganite Nd0.5Sr0.4Ba0.1MnO3 by partially substituting the larger Ba^2＋ ions for the smaller Sr^2＋ ions.     

First-principles investigation of BAs and BxGa1-xAs alloys

First-principles investigation of BAs and BxGa1-xAs alloys Using first-principles calculations in the generalized gradient approximation, the electronic properties of BAs and BxGa1-xAs alloys are studied. At the Brillouin-zone centre, the lowest conduction band is the three-degenerate p-like Г15c state rather than s-like Г1c state, and the conduction band minimum （CBM） is along the A line between the Г and X points-at approximately 11/14（1,0,0）2π/a. With boron content at 0%-18.75%, BxGa1-xAs alloys have a small （2.6 eV） and relatively composition-independent band-gap bowing parameter, the band-gap increases monotonically by -18meV/B% with increasing boron content. In addition, the formation enthalpies of mixing for BxGa1-xAs alloys with boron content at 6.25% and 12.5% are calculated, and the large formation enthalpies may explain the difficulty in alloying boron to GaAs.     

Molecular dynamics of MgSiO3 perovskite melting

The melting curve of MgSiO分子动力学 MgSiO3钙钛矿 熔化温度 高压melting temperature, molecular dynamics, high pressureProject supported by the National Natural Science Foundation of China (Grant Nos 10274055 and 10376021),the Natural Science Foundation of Gansu Province, China (Grant No 3ZS051-A25-027) and the Scientific Research Foundation of Education Bureau of Gansu Province, China (Grant No 0410-01).2005-01-125/8/2005 12:00:00 AMThe melting curve of MgSiO3 perovskite is simulated using molecular dynamics simulations method at high pressure. It is shown that the simulated equation of state of MgSiO3 perovskite is very successful in reproducing accurately the experimental data. The pressure dependence of the simulated melting temperature of MgSiO3 perovskite reproduces the stability of the orthorhombic perovskite phase up to high pressure of 130GPa at ambient temperature, consistent with the theoretical data of the other calculations. It is shown that its transformation to the cubic phase and melting at high pressure and high temperature are in agreement with recent experiments.     

First-principles study of interphase Ni3Sn in Sn--Ni alloy for anode of lithium ion battery

This paper investigates the mechanism of Li insertion into interphase Ni3Sn in Ni-Sn alloy for the anode of lithium ion battery by means of the first-principles plane-wave pseudopotential. Compared with other phases, it is found that the Ni3Sn has larger relative expansion ratio and lower electrochemical potential, with its specific plateaus voltage around 0.3 eV when lithium atoms are filled in all octahedral interstitial sites, and the relative expansion ratio increasing dramatically when the lithiated phase transits from octahedral interstitial sites to tetrahedral interstitial sites. So this phase is a devastating phase for whole alloy electrode materials.     

Coalescence of heteroclusters Au767 and Ag767: a molecular-dynamics study

This paper studies the coalescence of heteroclusters Au767 and Ag767 by using molecular dynamics with the embedded atom method, where layer atomic energy is employed to describe the potential energy variation of per atom in different layers along radial direction. The results show that the coalescence is driven by releasing the atomic energy of the coalesced zone. The deformation, which is induced by substitutional and vacancy diffusion during the coalescence, makes the coalesced cluster disorder. If the summation of the thermal energy and the released atomic energy is large enough to keep the disorder state, the clusters form a metastable liquid droplet; otherwise, the clusters coalesce into a solid cluster when the coalesced cluster reaches the equilibrium state, and the coalesced cluster experiences liquid to solid ordering changes during the coalescence of a solid Au767 with a liquid Ag767 and a liquid Au767 with a liquid Ag767. The centre of figure of the cluster system is shifted during the coalescence process, and higher coalescence temperature causes larger shift degree.     

Superconductivity without dependence on valenceelectron density in Zn doped YBCO systems

This paper reports that the YBa2Cu3-xZnxO7-δ （x = 0-0.4） samples are researched by means of x-ray diffraction, calculations of binding energy, the positron experiments and variations of oxygen content. The results of simulated calculations, positron experiments and variations of oxygen content support the existence of cluster effect. Moreover, it is concluded that the cluster effect is an important factor on suppression of high-Tc cuprate superconductivity and the Tc does not depend on the density of valence electron directly.     

Low-field electron emission from pinaster-like MoO2 nanoarrays as two-stage emitters

Low-field electron emission is obtained from the pinaster-like MoO2 nanoarrays. The turn-on field of the pinasterlike MoO2 nanoarrays is found to be as low as 2.39 V/μm with the current density of 10μA/cm2. The enhancement factor is extracted to be 3590 from the Fowler-Nordheim plot. These excellent emission properties are attributed to the special structure of the pinaster-like MoO2 nanoarrays and confirmed by the calculation in the frame of the two -stage model. Our results show that the pinaster-like MoO2 nanoarrays are promising candidate in realizing field emission displays.