High-Conversion-Efficiency and Broadband Tunable Femtosecond Noncollinear Optical Parametric Amplifier

We build a compact high-conversion-efficiency and broadband tunable noncollinear optical parametric amplifier （OPA） in the infra-red （IR） pumped by a femtosecond Ti：sapphire CPA laser. The OPA consists of an internal seed of white-light continuum generator （WLG） and two noncollinear optical parametric amplifiers. The tunable wavelength range is from 1.2μm to 2.4μm for both signal and idle pulses. The total OPA efficiency in the last OPA stage reaches about 40% in a wider tunable spectral range （from 1.3μm to 1.7μm for signal pulse, from 1.5μm to 2.0 μm for idle pulse respectively）.     

Formation Mechanisms of Electrical Conductivity and Optical Properties of ZnO:N Film Produced by Annealing Treatment

The effects of annealing on the chemical states of N dopant, electrical, and optical properties of N-doped ZnO film grown by molecular beam epitaxy (MBE) are investigated. Both the as-grown ZnO:N film and the film annealed in N₂ are of n-type conductivity, whereas the conductivity converts into p-type conductivity for the film annealed in O₂. We suggest that the transformation of conductivity is ascribed to the change in ratio of the N molecular number on O site (N₂)_O to the N atom number on O site (N_O) in ZnO:N films under the various annealed atmosphere. For the ZnO:N film annealed in N₂, the percentage content of (N₂)_O is larger than that of N_O, i.e.the ratio >1, resulting in the n-type conductivity. However, in the case of the ZnO:N film annealed in O₂, the percentage content of (N₂)_O is fewer than that of N_O, i.e., the ratio <1, giving rise to the p-type conductivity. There is an obvious difference between low-temperature (80K) PL spectra of ZnO:N film annealed in N₂ and that of ZnO:N film annealed in O₂. An emission band located at 3.358eV is observed in the spectra of the ZnO:N film after annealed in N₂, this emission band is due to donor-bound exciton (D⁰X). After annealed in O₂, the PL of the donor-bound exciton disappeared, an emission band located at 3.348eV is observed, this emission band is assigned to acceptor-bound exciton (A⁰X).     

A Simple Route of Morphology Control and Structural and Optical Properties of ZnO Grown by Metal-Organic Chemical Vapour Deposition

Employing the metal-organic chemical vapour deposition （MOCVD） technique, we prepare ZnO samples with different morphologies from the film to nanorods through conveniently changing the bubbled diethylzinc flux （BDF） and the carrier gas flux of oxygen （OCGF）. The scanning electron microscope images indicate that small BDF and OCGF induce two-dimensional growth while the large ones avail quasi-one-dimensional growth. X-ray diffraction （XRD） and Raman scattering analyses show that all of the morphology-dependent ZnO samples are of high crystal quality with a c-axis orientation. From the precise shifts of the 20 locations of ZnQ （002） face in the XRD patterns and the E2 （high） locations in the Raman spectra, we deduce that the compressive stress forms in the ZnO samples and is strengthened with the increasing BDF and OCGF. Photoluminescence spectroscopy results show all the samples have a sharp ultraviolet luminescent band without any defects-related emission. Upon the experiments a possible growth mechanism is proposed.     

Characteristics of Nd:YGG Laser Operating at 4F3/2-4I9/2

The laser properties of the Nd：YGG crystal are investigated. The absorption spectrum from 500 to 90Onto and emission spectrum from 850 to 1400nm of Nd：YGG are measured. As much as 1.35 W output power of fundamental laser operating at 935 and 938nm with a slope efficiency of 15.7% and 105mW output power of frequency doubled blue laser are successfully obtained.     

H_2S_2的构型及其异构化的量子化学研究

采用量子化学中的二阶微扰(MP2)方法,在6-311+G(3df,2p)水平上,利用Gaussian软件优化反应物,过渡态和生成物的几何结构,在相同水平上对反应物,过渡态和生成物进行了频率分析,同时完成了内禀反应坐标(IRC)分析.进而利用过渡态理论,计算了温度在300K时的H迁移异构化反应的速率常数.研究结果表明,H2S2的构型有两种,分别为:线型和分叉型,其中线型HSSH的能量较低,为稳定结构;平衡常数很小,为2.2×10-20,不利于平衡从线型向分叉型异构体转化,反之,分叉型向线型转化较容易,因此分     

单电荷带电态对分子线输运特性的影响

利用Su-Schrieffer-Heeger(SSH)模型及平衡格林函数方法研究了一维分子线基态与带电态下的电子输运特性.研究发现,分子线基态对应较高的阻态,而带电态对应较低的阻态.分子线在带电态(低阻态)与基态(高阻态)之间转换,可使体系具有导电开关的功能,这与近来实验上观察到的一些现象相符.进一步讨论了链长对分子线输运特性的影响.     

染料敏化太阳能电池光敏剂卟啉儿茶酚的密度泛函和含时密度泛函研究

用密度泛函理论的杂化密度泛函B3LYP方法研究了太阳能电池光敏荆5,10,15.三苯基-20-(3,4-二羟基苯)卟啉(卟啉儿荼酚,TPP-cat)的几何结构、电子结构、IR和Raman特性.用自然键轨道方法分析了电荷布居和成键性质.计算结果表明,最强的IR吸收峰位于1175.81 cm-1处,最强的Raman活性位于1587.18 cm-1处.采用含时密度泛函计算了TPP-cat在水溶液中的电子吸收谱,其Soret带和Q带均指认为π→π*跃迁,在大约354 cm-1处的跃迁与一个光诱导分子内电荷转移过程有关.     

超声双折射法测试铝合金的内部应力

声各向同性的金属材料在应力作用下表现出声各向异性,这是用声弹性法分析材料内部应力的基础。本文用偏振方向平行或垂直于应力方向的超声纯横波对LY11型铝合金进行测试。实验结果表明:材料在拉、压单轴应力作用下,偏振方向平行和垂直于应力方向的超声纯横波的声速都发生了变化。实验在分析材料声各向异性的基础上计算材料声弹性双折射系数,得到测试LY11型铝合金内部应力的理论公式,并对其内部的残余应力进行评估。实验中利用双换能器回振法测量声速,时间测试精确度可达10^-11s,可精确测量声速的微小变化量。     

N/I/d波超导体结中的准粒子非弹性散射效应

考虑准粒子的非弹性散射和正常金属区域的杂质散射,以方势垒描述N/I/d波超导体结中绝缘层对准粒子输运的影响,运用Bogoliubov-de Gennes(Bde)方程和Blonder-Tinkham-Klapwijk(BTK)理论,计算了N/I/d波超导体结的隧道谱.研究表明;(1)伴随着准粒子的非弹性散射效应,绝缘层的势垒值及绝缘层厚度对零偏压电导峰值有显著影响;(2)准粒子有限寿命的缩短,可压低零偏压电导峰,并抹平能隙处的小峰或凹陷;(3)较大的杂质散射会导致零偏压电导峰的劈裂,而准粒子的非弹性散射则可有效地阻止其劈裂.     

盐酸氯丙嗪1H NMR、 13C NMR谱的归属及结构表征

通过运用¹H-¹H COSY(¹H-¹H COrrelation SpectroscopY)、TOCSY(TOtal Correlation SpectroscopY)、HSQC(Heteronuclear Single Quantum Correlation)、HMBC (Heteronuclear Multiple Bond Correlation)、NOESY(Nuclear Overhauser Enhancement SpectroscopY)等多种二维核磁技术,对盐酸氯丙嗪（Chlorpromazine hydrochloride CPZ· HCl）在CDCl₃、CD₃COCD₃和D₂O三种溶剂中的¹H、¹³C NMR谱进行了准确归属（重点集中于谱峰重叠程度较高的芳香族区域）．实验表明：杂环上N与苯环存在部分共轭;在CDCl₃、CD₃COCD₃中,侧链卷曲至芳环上方处于屏蔽区,且侧链上N为较稳定的四面体构型;比较了CPZ· HCl在不同溶剂与浓度下的¹H NMR谱的变化,对文献中其核磁共振谱（特别是芳香区的谱峰）归属的争议作了解释．量子化学计算结果与实验结果相吻合．