The Reasons for Ligand-Dependent Quantum Yields and Absorption Spectrum of Four Polypyridylruthenium(II) Complexes with a Tetrazolate-Based Ligand: TDDFT Study

The quantum yield, lifetime, and absorption spectrum of four [Ru(bpy)(2)L](+) [where bpy is 2,2'-bipyridyl; L is represented by the deprotonated form of 2-(1H-tetrazol-5-yl)pyridine (L1) or 2-(1H-tetrazol-5-yl)pyrazine (L2)], as well as their methylated complexes [Ru(bpy)(2)LMe](2+) (RuL1Me and RuL2Me) are closely ligand dependent. In this paper, density functional theory (DFT) and time-dependent DFT (TDDFT) were performed to compare the above properties among these complexes. The calculated results reveal that the replacement of pyridine by pyrazine or the attachment of a CH3 group to the tetrazolate ring greatly increases the pi-accepting ability of the ancillary ligands.

Organic photovoltaic cells with near infrared absorption spectrum

Organic photovoltaic cells with a strong absorption spectrum in the near infrared region were fabricated with the structure of indium tin oxide (ITO)/zinc phthalocynine (ZnPc)/lead phthalocynine (PbPc)/C-60/Al. PbPc has a broad and strong absorption, while the organic films of PbPc/C-60 showed an additional new absorption peak at 900 nm. The absorption in the near infrared region can harvest more photons to invert into photocurrent. Moreover, the introduction of ZnPc thin layer between ITO and PbPc further improved the new absorption peak and the collection of hole carriers at the electrode ITO, which increased the power conversion efficiencies to 1.95% and short-circuit current density to 9.1 mA/cm(2) under AM 1.5 solar spectrum.

Linewidth of the infrared absorption spectra due to bound-to-continuum transition in GaAs/AlxGa1-xAs multiple quantum well structures

We have observed an extremely narrow absorption spectrum due to bound-to-continuum transition in GaAs/AlxGa1-xAs multiple quantum wells (MQWs). Its linewidth is only about one tenth of the values reported previously. Our calculation indicates that the broadening of the excited state in the continuum has little contribution to the absorption linewidth. We have grown a sample whose MQW region contains two kinds of wells with a minor thickness inhomogeneity. Its resultant absorption linewidth is six times as large as that of homogeneous well sample, which is in good agreement with our theoretical analysis. Thus we can suggest that the wider absorption spectra reported by many authors may be due to the well width inhomogeneity. (C) 1998 American Institute of Physics. [S0003-6951(98)03430-5]

Evaluation of thermal radiation dependent performance of GaSb thermophotovoltaic cell based on an analytical absorption coefficient model

Applying the model dielectric function method, we have expressed the absorption coefficient of GaSb analytically at room temperature relating to the contribution of various critical points of its electronic band structure. The calculated absorption spectrum shows good agreement with the reported experimental data obtained by spectral ellipsometry on nominally undoped sample. Based on this analytical absorption spectrum, we have qualitatively evaluated the response of active absorbing layer structure and its photoelectric conversion properties of GaSb thermophotovoltaic device on the perturbation of external thermal radiation induced by the varying radiator temperature or emissivity. Our calculation has demonstrated that desirable thickness to achieve the maximum conversion efficiency should be decreased with the increment of radiator temperature and the performance degradation brought by any structure deviation from its optimal one would be stronger meanwhile. For the popular radiator temperature, no more than 1500 K in a real solar thermophotovoltaic system, and typical doping profile in GaSb cell, a reasonable absorbing layer structure parameter should be controlled within 100-300 nm for the emitter while 3000-5000 nm for the base.

Evaluating 0.53 eVGaInAsSbthermophotovoltaic diode based on an analytical absorption model

Radiant heat conversion performance dominated by the active layer of Ga0.84In0.16As0.14Sb0.86 diode has been systematically investigated based on an analytic absorption spectrum, which is suggested here by numerically fitting the limited experimental data. For the concerned diode configuration, our calculation demonstrates that the optimal base doping is 3-4 x 10(17) cm(-3), which is less sensitive to the variation of the external radiation spectrum. Given the scarcity of the alloy elements, an economical device configuration of the 0.2-0.6 mu m emitter and the 4-6 mu m base would be particularly acceptable because the corresponding conversion efficiency cannot exhibit discouraging degradation in comparison to the one for the optimal structure, the thickness of which may be up to 10 mu m. More importantly, the method we suggested here to calculate alloy absorption can be easily transferred to other composition, thus bringing great convenience for design or optimization of the optoelectronic device formed by these alloys.

Intersubband optical absorption in a step asymmetric semiconductor quantum well driven by a terahertz field

The nonlinear optical absorption in a three-subband step asymmetric semiconductor quantum well driven by a strong terahertz (THz) field is investigated theoretically by employing the intersubband semiconductor-Bloch equations. We show that the optical absorption spectrum strongly depends on the intensity, frequency, and phase of the pump THz wave. The strong THz field induces THz sidebands and Autler-Townes splitting in the probe absorption spectrum. Varying the pump frequency can bring not only the new absorption peaks but also the changing of the energy separation of the two higher-energy levels. The dependence of the absorption spectrum on the phase of the pump THz wave is also very remarkable.

Broad-spectrum and long-lifetime emissions of Nd3+ ions in lead fluorosilicate glass

A novel Nd3+-doped lead fluorosilicate glass (NPS glass) is prepared by a two-step melting process. Based on the absorption spectrum a Judd-Ofelt theory analysis is made. The emission line width of NPS glass is 44.2nm. The fluorescence decay lifetime of the 4F3/2 level is 586±20μsec, and the stimulated emission cross-section is 0.87×10-20cm2 at 1056nm. A laser oscillation is occurred at 1062nm when pumped by 808nm Diode Laser. The slope efficiency is 23.7% with a 415mJ threshold. It is supposed that NPS glass is a good candidate for using in ultra-short pulse generation and amplification by the broad emission bandwidth and long fluorescence lifetime.

光纤光栅滤波的瓦斯传感系统的研究

差分吸收法是进行瓦斯远距离监测的重要方法，根据瓦斯在近红外波段的吸收特性，报道了一种新型的远距离光纤瓦斯传感系统。采用1．3μm超辐射发光二极管为光源，利用光纤布拉格光栅(FBG)优良的窄带滤波特性实现了对瓦斯的差分吸收测量。和传统的干涉滤光片相比，光纤光栅滤波器插入损耗低、制备简单。系统具有全光纤化、结构简单、工作距离远、稳定性好的特点。工作距离10km，测量灵敏度为0．1％，是瓦斯爆炸极限的2％。

掺镁近化学计量比LiTaO3晶体的生长及光学性能

在同成分LiTaO3熔体中掺入一定剂量的K2O,采用顶部籽晶提拉法生长掺镁近化学计量比LiTaO3晶体。对晶体分别进行光谱分析,畴结构和抗光损伤阈值的测定。结果表明：与同成分掺镁LiTaO3晶体相比较,其紫外吸收边出现明显蓝移,红外吸收峰变弱。腐蚀晶片的晶相显微镜观察结果表明：掺镁近化学剂量比晶体的畴结构是较为规则的六边形;晶体的抗光致散射能力明显提高。

Nd3+螯合物的含氢有机溶液光谱性能研究

Tris-thenoyltrifluroacetonate of Nd3+ has been prepared and dissolved in DMF solation with very high concentration, and the contained hydrogen has not been substituted by deuterium. The absorption spectrum, emission spectrum, and fluorescence lifetime of the solution were measured. Very obvious characteristic fluorescence peaks were observed at 898 and 1058 nm. Based on Judd-Ofelt theory, three intensity parameters were obtained: Omega(2) = 4.9 x 10(-20) cm(2), Omega(4) = 5.1 x 10(-20) cm(2) and Omega(6) = 2.5 x 10(-20) cm(2). Line strengths S-cal, oscillator strengths f(cal), radiative transition probabilities A(ed), radiative lifetimes tau(r) and branch ratios beta were calculated too. The measured lifetime tau of 1058 nm peak is 460 mu s, and that of 898 nm 505 mu s. Comparison between theoretically computed radiative lifetime tau(r)(682 mu s) and the measured lifetime indicates that the non-radiative transition probability of the solution is very low and the fluorescence quantum efficiency very high. High values of three intensity parameters prove the high asymmetric surroundings of Nd3+, which is important for Nd3+ to absorb the excitation energy. Spectropic quality factor Omega(4)/Omega(6) > 1 makes radiation at 898 nm stronger than at 1058 nm.

Riboflavin sensitized photopolymer materials for holographic storage

Riboflavin is employed as the photosensitizer of a novel photopolyrner material for holographic recording, This material has a broad absorption spectrum range (More than 200nm) due to the addition of this dye. The experimental results show that our material has high diffraction efficiency and large refractive index modulation. The maximum diffraction efficiency of the photopolymer is about 56%. The digital data pages are stored in this medium and the reconstructed data page has a good fidelity, with the bit-error-ratio of about 1.8 X 10(-4). it is found that the photopolymer material is suitable for high-density volume holographic digital storage.

新型多氮杂环金属配合物的合成及其光谱研究

采用溶液析出法,合成了以2-（2′-羟基-5′-甲基苯基）苯并三唑（HMPB）为配体的多氮杂环金属配合物M（HMPB）2（M=Co,Ni）,利用元素分析、激光解析飞行时间质谱等进行了表征,并研究了新配合物的红外特征光谱和紫外-可见电子吸收光谱。结果表明：HMPB配体通过N和O原子与中心金属以二齿形式配位,中心金属的配位数为4;配合物红外特征吸收谱带位于400～2 500 cm^-1,形成金属配合物后,2-（2′-羟基-5′-甲基苯基）苯并三唑的羟基的伸缩振动吸收、CN振动峰和C─O特征吸收有明显改变,同时确定了配位键M─N和M─O的特征峰位置;配合物在紫外区有强吸收,其最大吸收峰位于335～345 nm。

Cr~(2+):ZnSe的激光输出和调谐性能

Cr~(2+):ZnSe具有很宽的吸收带和发射带,是中红外波段优秀的可调谐激光材料。从吸收光谱、发射光谱以及角度调谐输出对Cr~(2+):ZnSe晶体的激光输出性能进行了研究。采用真空高温扩散法制备Cr~(2+):ZnSe晶体.获得了高浓度的Cr~(2+)离子掺杂的厚1.7 mm,直径10 mm的薄片ZnSe晶体。使用中心波长2.05μm,最大输出功率8 W的Tm离子掺杂的光纤激光器抽运,使用平凹腔结构搭建谐振腔,获得了最大平均功率1.034 W,中心波长2.367μm,线宽10 nm的连续激光输出。利用角度调谐的方法,对Cr:ZnSe晶体的调谐性能进行了研究,在100 nm范围内获得了调谐输出。