锐钛矿二氧化钛体相缺陷的准粒子能带结构

Quasiparticle band structures of the defective anatase TiO₂ bulk with O vacancy, Ti interstitial and H interstitial are investigated by the GW method within many-body Green''s function theory. The computed direct band gap of the perfect anatase bulk is 4.3 eV, far larger than the experimental optical absorption edge (3.2 eV). We found that this can be ascribed to the inherent defects in anatase which drag the conduction band (CB) edge down. The occupied band-gap states induced by these defects locate close to the CB edge, excluding the possible contribution of these bulk defects to the deep band-gap state below CB as observed in experiments.     

Intermediate Ce3+ defect level induced photoluminescence and third-order nonlinear optical effects in TiO2–CeO2 nanocomposites

We report on the linear and nonlinear optical studies of TiO₂–CeO₂ nanocomposites. It was found that the band gap of the nanocomposite can be tuned by varying Ce/Ti content. Nonlinear absorption characteristics of these samples were studied by employing open aperture Z-scan technique using an Nd:YAG laser (532 nm, 7 ns, 10 Hz). It has been observed that as the CeO₂ amount increases, band gap of the nanocomposites decreases and the reason proposed for the change in band gap is the smudging of localised states of Ce³⁺ into the forbidden energy gap, thus acting as the intermediate state. Fluorescence studies confirmed the above argument. Nonlinear investigation revealed that with increase in the CeO₂ amount, the two-photon absorption coefficient increased due to the modification of TiO₂ dipole symmetry. Suitable candidature of the nanocomposites for the fabrication of nonlinear optical devices was proved by determining the optical limiting threshold.     

Optoelectronics properties of TiO<Subscript>2</Subscript>:Cu thin films obtained by sol gel method

In this research, Cu-doped TiO₂ thin films have been successfully deposited onto a glass substrate by Sol–gel technique using dip coating method. The films were annealed at different annealing temperatures (400–500 °C) for 1 h. The structural, optical and electrical properties of the films were investigated and compared using X-ray Diffraction, UV–visible spectrophotometer and 4-point probe method. Optical analysis by mean transmittance T(λ) and absorption A(λ) measurements in the wavelength range between 300 to 800 nm allow us to determine the indirect band gap energy. DRX analysis of our thin films of TiO₂:Cu shows that the intensities of the line characteristic of anatase phase increasing in function of the temperature.     

Rectangular patch antennas over electromagnetic band gap structures

In this paper, I propose a new design of a defected structure (DS) for use as an electromagnetic band gap (EBG) configuration to enhance the performance of low profile microstrip antennas. The proposed defected structure embodies a honeycomb lattice of cylindrical air holes. The proposed DS is applied to three different configurations using a dielectric substrate (dielectric constant 6 and thickness 1.5 mm); namely: a dielectric substrate backed by a defected ground plane, a defected dielectric substrate backed by a normal substrate and a defected dielectric substrate backed by a defected ground plane. The simulated values of the transmission coefficient S ₂₁ for the last one show two well-defined stop bands around 8.5 and 9.5 GHz, respectively. The first band has been used to reduce mutual coupling in a microstrip array. On the other hand, the stop band defined around 9.5 GHz has been applied to enhance the characteristics of a rectangular patch antenna and improve the operational 10-dB bandwidth.     

Study of SiRNA-loaded PS-mPEG/CaP nanospheres on lung cancer

The TiO₂/BiOI heterostructured nanofibers were prepared by electrospinning–solvothermal two-step process. The BiOI nanosheets, which owned a thickness of tens of nanometers and an average side length of about 300 nm, were intensive and crossed arranging on the TiO₂ nanofibers whose diameter was about 400–550 nm and length was about 15–45 μm. The absorption edge of TiO₂/BiOI heterostructured nanofibers was extended to more than 600 nm in visible-light region and the TiO₂/BiOI exhibited enhanced visible-light photocatalytic performance and excellent recyclability compared to the individual TiO₂ nanofibers and the BiOI microflowers in the photodecomposition of methylene blue, which was ascribed to nanoscale size heterostructure, narrow energy band, peculiar band gap structures, and porous surface structure.     

Non-Bragg bandgaps of quasi-one-dimensional comb-like structures composed of positive and negative index materials

Quasi-one-dimensional comb-like periodic and aperiodic structures composed of positive index materials branch resonators and negative index materials backbone waveguide are physically fabricated by using transmission line approach. It is theoretically shown that the structures possess a non-Bragg band-gap which is invariant with a change of scale length and robust against disorder. The gap edges are determined by zero average permittivity of the branch and the backbone and zero permeability of the backbone materials, respectively. The transmission properties of the structures are investigated by changing the (average) resonator size d_Band the resonator spacing d_Arespectively. The experimental results agree well with the theoretical predictions and numerical simulations, which demonstrate the independence of the special gap on the scaling and disorder in the structures.     

Improved visible light photocatalytic activity of TiO<Subscript>2</Subscript> nano powders with metal ions doping for glazed ceramic tiles

Self-cleaning and anti-bacterial activities of the photo-catalyst titanium dioxide make it a superior compound for use in the ceramics and glass industry. In order to achieve high self-cleaning efficiency for building products, it is important that Titania is present as anatase phase. Moreover, it is desirable that the particle sizes are in Nano-range, so that a large enough surface area is available for enhanced catalytic performance. In the present paper, Cobalt and Nickel co-doped (4%mol Ni and 4%mol Co doped TiO₂) and un-doped TiO₂ Nano powders have been prepared by sol–gel technique. They were calcined at the temperatures in the range of 475–1075 °C. Ni/Co co-doped TiO₂ postponed the anatase to rutile transformation of TiO₂ by about 200–300°C, such that before calcination at 775°C, no rutile was detected for 4 mol% Ni/Co co-doped TiO₂. A systematic decreasing on crystallite size and increasing on specific surface area of Ni/Co co-doped TiO₂ were observed. Photo-catalytic activity of anatase polymorph was measured by the decomposition rate of methylene blue under visible light. The results showed enhanced catalysis under visible light for Ni/Co co-doped TiO₂ as compared to pure TiO₂. The enhanced performance was attributed to surface chemistry change associated with a slight shift in the band gap. Depending on the temperatures ranging from 475 to 1075 °C, band gap energy of Ni and Co doped TiO₂ crystals decreased. For all samples there is a general reduction of the band gap energy from 3.00 to 2.96 eV.     

Metamaterial Superstrate and Electromagnetic Band-Gap Substrate for High Directive Antenna

A high directive planar antenna made from a metamaterial superstrate and an electromagnetic band-gap (EBG) substrate has been investigated. A patch antenna surrounded with EBG structures is used as the radiation source. The CST Microwave Studio is used for the simulation. The results show that the gain of the antenna with metamaterial is 21.6 dB at the operating frequency of 14.6 GHz. Compared with the patch feed with the same aperture size but without the metamaterial superstrate, the performance of the antenna is improved obviously and the gain increases about 12.4 dB.     

A facile low temperature synthesis of TiO2 nanorods for high efficiency dye sensitized solar cells

Titania (TiO₂) nanorods have been synthesized with controlled size for dye-sensitized solar cells (DSSCs) via hydrothermal route at low hydrothermal temperature of 100 °C for 24 h. The titania nanorods were characterized using XRD, SEM, TEM/HRTEM, UV-vis Spectroscopy, FTIR and BET specific surface area (S _BET), as well as pore-size distribution by BJH. The results indicated that the bulk traps and the surface states within the TiO₂ nanorods films have enhanced the efficiency of DSSCs. The size of the titania nanorods was 6.7 nm in width and 22 nm in length. The high surface area can provide more sites for dye adsorption, while the fast photoelectron-transfer channel can enhance the photogenerated electron transfer to complete the circuit. The specific surface area S _BET was 77.14 m²?g^?1 at the synthesis conditions. However, the band gap energy of the obtained titania nanorods was 3.2 eV. The oriented nanorods with appropriate lengths are beneficial in improving the electron transport property and thus leading to the increase of photocurrent, together enhancing the power conversion efficiency. A nearly quantitative absorbed photon-to-electrical current conversion achieved upon excitation at wave length of 550 nm and the power efficiency was enhanced from 5.6 % for commercial TiO₂ nanoparticles Degussa (P25) cells to 7.2 % for TiO₂ nanorods cells under AM 1.5 illumination (100 mW?cm^?2). The TiO₂ cells performance was improved due to their high surface area, hierarchically mesoporous structures and fast electron-transfer rate compared with the Degussa (P25).     

Thickness dependent optical properties of titanium oxide thin films

TiO₂ thin films of different thickness were prepared by the Electron Beam Evaporation (EBE) method on crystal silicon. A variable angle spectroscopic ellipsometer (VASE) was used to determine the optical constants and thickness of the investigated films in the spectral range from 300 to 800 nm at incident angles of 60°, 70°, and 75°, respectively. The whole spectra have been fitted by Forouhi–Bloomer (FB) model, whose best-fit parameters reveal that both electron lifetime and band gap of TiO₂ thin film have positive correlation to the film thickness. The refractive indices of TiO₂ thin film increase monotonically with an increase in film thickness in the investigated spectral range. The refractive index spectra of TiO₂ thin films have maxima at around 320 nm and the maxima exhibit a marginally blue-shift from 327.9 to 310.0 nm with an increase in film thickness. The evolution of structural disorder in the TiO₂ thin film growth can be used to explain these phenomena.     

First-principles calculations on TiO2 doped by N, Nd, and vacancy

First-principles density functional theory calculations have been carried out to investigate electronic structures of anatase TiO₂ with substitutional dopants of N, Nd, and vacancy, which replace O, Ti, and O, respectively. The calculation on N-doped TiO₂ with the local density approximation (LDA) demonstrates that N doping introduces some states located at the valence band maximum and thus makes the original band gap of TiO₂ smaller. Examining the effect of the strong correlation of Nd 4f electrons on the electronic structure of Nd-doped TiO₂, we have obtained the half-metallic ground state with the LDA and the insulating ground state with the LDA+U (Hubbard coefficient), respectively. In addition, the calculation on vacancy-doped TiO₂ with the LDA shows that a vacancy can induce some states in the band-gap region, which act as shallow donors.     

微波低通高阻复合材料构件的设计与性能验证

随着海洋环境武器装备隐身发展的需要, 开展具有微波低通高阻特性的复合材料构件设计与研究显得重要而迫切. 文章首先设计了一种中空六边形周期性结构, 以此为基础设计了一个由面层、中空六边形环周期层1、中间层、中空六边形环周期层2、面层组成的新型复合双层频率选择表面(FSS)结构件. 其上层FSS的结构参数为中空六边形环边长3.0 mm, 线宽度0.5 mm, 缝隙宽度0.4 mm; 下层FSS的结构参数为中空六边形环的边长3.2 mm, 线宽度0.5 mm, 缝隙宽度1.0 mm. 模拟结果表明: 该复合材料构件具备优良的低频透过性与高频屏蔽性快速转换的特性, 能够获得优异的低通高阻性能, 同时在45°范围内具备优良的角度不敏感性. 最后制备和实验验证得到了0–2 GHz低频段具有95.6%高透过性、同时在7.05–18 GHz高频段具有10 dB 以上屏蔽性能的复合材料构件, 对具有隐身特性的新型滤波电磁功能构件的研制具有重要价值.     

N掺杂Cu2O薄膜的光学性质及第一性原理分析

采用射频磁控溅射技术, 在不同温度下制备了N掺杂Cu₂O薄膜．透射光谱分析发现, N掺杂导致Cu₂O成为允许的带隙直接跃迁半导体, 并使Cu₂O的光学禁带宽度增加．不同温度下沉积的薄膜光学禁带宽度E_g=2.52± 0.03 eV．第一性原理计算表明, N掺杂导致Cu₂O的禁带宽度增加了约25%, 主要与价带顶下移和导带底上移有关, 与实验报道基本符合．N的2p电子态分布不同于O原子, 在价带顶附近具有较大的态密度是N掺杂Cu₂O变成允许的带隙直接跃迁半导体的根本原因．     

Cotton-yarn/TiO$\mathsf{_{2}}$ dispersed resin photonic crystals with straight and wavy structures

The feasibility of three-dimensional (3-D) photonic crystals made using textile technology was investigated. Three different textures consisting of the cotton-yarn and TiO₂ dispersed resin; a crossed linear-yarn laminated fabric, a multi layered woven fabric, and a 3-D woven fabric, were fabricated. The microwave attenuation of the transmission amplitude through these photonic crystals was measured. The straight cotton-yarn as well as the wavy cotton-yarn/TiO₂ dispersed resin photonic crystals exhibited band gaps in the 6 to 15 GHz range. Thus, we could fabricate successfully 3-D photonic crystals using textile technology.Received: 27 February 2004, Published online: 12 July 2004PACS: 42.70.Qs Photonic bandgap materials - 84.40.-x Radiowave and microwave (including millimeter wave) technology     

Effects of 1064 nm laser on the structural and optical properties of nanostructured TiO2 thin film

TiO₂ thin film has been widely used as photoelectrode in dye-sensitized solar cells. It can also be used in quantum dot synthesized solar cells. Study of its effects in different spectrum of light is important for its use in solar cells. We have reported effects of 1064 nm laser on the surface morphology, structural and optical properties of nanostructured TiO₂ thin film deposited on glass substrates using sol-gel spin coating technique. Q-Switched Nd:YAG pulsed laser at various power densities is used in this study. Surface morphology of the film is investigated using X-ray diffraction (XRD) and atomic force microscopy technique. The XRD pattern of as deposited TiO₂ thin film is amorphous and after laser exposure it became TiO₂ anatase structure. Atomic force microscopy of the crystalline TiO₂ thin film shows that the grain size increases by increasing laser power density. The calculations of the band gap are carried out from UV/Visible spectroscopy measurements with JASCO spectrometer. For laser power density of 25 MW/cm² there is an increase in the transmission and it decreases at the value of 38 MW/cm² and band gap decreases with increasing laser power density. Photoluminescence spectra of the crystalline TiO₂ thin film indicate two broad peaks in the range of 415 and 463 nm, one for band gap peak (415 nm) and other for oxygen defect during film deposition process.     

Fabrication of one-dimensional photonic crystals with Al2O3/TiO2 by pulsed laser deposition

One-dimensional photonic crystal (1D PC) mirrors consisting of Al₂O₃/TiO₂ stacks are theoretically and experimentally investigated at visible frequencies. In our experiments the refractive index of Al₂O₃ is tunable from 1.43 to 1.68. We found that the Al₂O₃/TiO₂ combination can be adopted to fabricate both broad- and narrow-band 1D PC mirrors: Substituting nanoporous Al₂O₃ for dense SiO₂ in an SiO₂/TiO₂ broad-band mirror yields the same spectral properties, while using dense Al₂O₃ in the combination can reduce the band-gap width to as low as 30 nm. The experimentally measured reflection and transmission spectra agree with the numerical results obtained by the transfer matrix method.     

Synthesis of Br-doped TiO<Subscript>2</Subscript> hollow spheres with enhanced photocatalytic activity

The Br-doped hollow TiO₂ photocatalysts were prepared by a simple hydrothermal process on the carbon sphere template following with calcination at 400 °C. The structure and properties of photocatalysts were characterized by X-ray diffraction, Raman spectrum, scanning electron microscope, transmission electron microscopy, N₂ desorption–adsorption, UV–Vis spectroscopy, and X-ray photoelectron spectroscopy. The TiO₂ hollow spheres are in diameter of 500 nm with shell thickness of 50 nm. The shell is composed of small anatase nanoparticles with size of about 10 nm. The TiO₂ hollow spheres exhibit high crystalline and high surface area of 89.208 m²/g. With increasing content of Br doping, the band gap of TiO₂ hollow spheres decreased from 2.85 to 1.75 eV. The formation of impurity band in the band gap would narrow the band gap and result in the red shift of absorption edge from 395 to 517 nm, which further enhances the photocatalytic activity. The appropriate Br doping improves the photocatlytic activity significantly. The TiO₂ hollow spheres with 1.55% Br doping (0.5Br-TiO₂) exhibit the highest photocatalytic activity under full light. More than 98% of RhB, MO, and MB can be photodegraded using 0.5Br-TiO₂ with concentration of 10 mg/L in 40, 30, and 30 min, respectively. The degradation rate of Br-doped photocatalysts was 40% faster than undoped ones.

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ZnSe and copper-doped ZnSe nanocrystals (NCs): Optical absorbance and precise determination of energy band gap beside their exact optical transition type and Urbach energy

The using of a reliable and accurate new method (called in literature as derivation of absorption spectrum fitting (DASF)) for evaluation of the optical band gap (E_g) and also the exact nature of charge carriers optical transitions, is investigated in ZnSe and ZnSe:Cu nanocrystals (NCs) synthesized by rapid microwave irradiation. This method can be performed by using the output of UV–Visible spectroscopy. The obtained E_g values are within the range of 2.985–3.261 eV, depending to the microwave irradiation time and Cu dopant percentage (decreasing trend with increasing of irradiation time and Cu content). The DASF-based obtained results for ZnSe and ZnSe:Cu nanoparticles, showed the more precise values of band gap, with the same trend of previously qualitative reported data on the same samples. Also, the direct gap nature of their optical transitions was justified. To perform the method, there is no any need to the concentration of solutions and merely one need the direct absorption or transmission spectra. In other word, DASF technique was employed on ZnSe NCs to confirm its validity and to avoid non-precise reports on optical band gap which can affect on the device optimizations based on these samples. Moreover, using the values of E_g, refractive index and dielectric constant of each sample were obtained at the absorption edge. Also, the width of the tailing states in the gap (Urbach energy: E_Tail) was estimated and were within the range of 0.049–0.122 eV, which their very small values in compare with E_g imply to the sharp valence and conduction band edges; it means the good crystallinity nature of the produced samples.     

Experimental determination of the band structure of photonic crystals of colloidal silica spheres

A photonic band structure of colloidal crystals of silica spheres is analytically determined by a band model with three fitting parameters: the sphere size, the effective refractive index, and the band-gap. Optical properties of the crystals annealed at various temperatures were characterized by a procedure similar to X-ray diffraction technique, and the width of photonic band-gap measured from the transmission spectra experimentally servers as an additional check on the validation of the model. The photonic band structures defined by the band-gap, the refractive index, and the Brillouin zone are obviously superior to the use of the Bragg's expression involving simple zone folding.     

Beta-manganese dioxide nanorods for sufficient high-temperature electromagnetic interference shielding in X-band

As the development of electronic and communication technology, electromagnetic interference (EMI) shielding and attenuation is an effective strategy to ensure the operation of the electronic devices. Among the materials for high-performance shielding in aerospace industry and related high-temperature working environment, the thermally stable metal oxide semiconductors with narrow band gap are promising candidates. In this work, beta-manganese dioxide (β-MnO₂) nanorods were synthesized by a hydrothermal method. The bulk materials of the β-MnO₂ were fabricated to evaluate the EMI shielding performance in the temperature range of 20–500 °C between 8.2 and 12.4 GHz (X-band). To understand the mechanisms of high-temperature EMI shielding, the contribution of reflection and absorption to EMI shielding was discussed based on temperature-dependent electrical properties and complex permittivity. Highly sufficient shielding effectiveness greater than 20 dB was observed over all the investigated range, suggesting β-MnO₂ nanorods as promising candidates for high-temperature EMI shielding. The results have also established a platform to develop high-temperature EMI shielding materials based on nanoscale semiconductors.