Routes to chaos and mode-locking in interferometers with nematic film inserts

The influence of time-dependent periodic optical drive in the Fabry-Perot interferometer system has been investigated using a theoretical model equation. A variety of features such as different routes to chaos, multiperiodic oscillations, coexistence of multiple attractors and mode-locking with devil’s staircase are found to occur for a certain range of parametric values.     

超长定向含铁多壁碳纳米管阵列的制备

采用无模板化学气相沉积法,以二茂铁为催化剂,二甲苯为碳源,利用单温炉加热装置制备了定向碳纳米管阵列。运用扫描电子显微镜、透射电子显微镜、拉曼光谱和X射线衍射仪等对定向碳纳米管阵列的形貌、成分和物相进行细致的分析和表征。结果表明:制得的碳纳米管阵列具有良好的定向性和多壁管状结构,并且石墨化程度高;碳纳米管中除碳元素外,管中包含有少量以纳米颗粒和纳米线形式存在的铁及其化合物,主要成分是铁和碳化铁。结合碳纳米管的制备和透射电子显微镜分析表征结果,认为超长碳纳米管阵列的生长模式为底部生长方式,即经历催化剂分解、催化、成核、长大、中毒、凝聚成粒和连接成线的循环过程,正是由于碳源和催化剂的连续供应促成了碳纳米管阵列的快速定向生长。     

射频功率对类金刚石薄膜性能的影响

在不同射频功率条件下,实验研究了射频等离子体化学气相沉积类金刚石薄膜的金刚石相分数、光学常数和硬度。利用Raman光谱仪、椭圆偏振仪、数字式显微硬度计分别测试了不同条件下单层类金刚石薄膜的金刚石相分数、光学常数和硬度。实验表明,随着功率的增加,金刚石相的相对分数减少,薄膜的折射率先减小再增加然后减小,射频功率大于910 W时,沉积速率急剧增大。而薄膜的硬度先增加后减小,在射频功率为860 W处获得最大值。     

3种黄酮醇类化合物核磁共振碳谱的理论研究

在B3LYP/6-31G水平下优化了3种黄酮醇类（山奈酚,槲皮素,杨梅素）化合物的几何构型. 在振动分析中,均未出现虚频率. 在B3LYP/6-31G的水平下计算了该类化合物的核磁共振碳谱. 研究结果表明：3种分子均有分子内氢键形成,且分子内氢键的键长为0.17~0.18 nm左右 . 本文讨论了羟基引入之后对邻近C的化学位移的影响. 从取代基对NMR的影响来看,随着取代基对苯环的供电子能力的加强,取代基邻近的一些C的化学位移有所改变.      

Effect of emitter layer doping concentration on the performance of silicon thin film heterojunction solar cell

A novel type of n/i/i/p heterojunction solar cell with a-Si:H(15 nm)/a-Si:H(10 nm)/ epitaxial c-Si(47 μm)/epitaxial c-Si(3 μm) structure is fabricated by using the layer transfer technique, and the emitter layer is deposited by hot-wire chemical vapour deposition. The effect of the doping concentration of emitter layer S_d (S_d=PH₃/(PH₃+SiH₄+H₂)) on the performance of the solar cell is studied by means of current density-voltage and external quantum efficiency. The results show that the conversion efficiency of the solar cell first increases to a maximum value and then decreases with S_d increasing from 0.1% to 0.4%. The best performance of the solar cell is obtained at S_d = 0.2% with an open circuit voltage of 534 mV, a short circuit current density of 23.35 mA/cm², a fill factor of 63.3%, and a conversion efficiency of 7.9%.     

6H-SiC衬底上AlGaN基垂直结构紫外LED的制备

利用金属有机物化学气相沉积方法,在n型6H-SiC衬底上制备了15对Si掺杂Al_(0.19)Ga_(0.81)N/Al_(0.37)Ga_(0.63)N DBR,并采用低温AlN缓冲层有效抑制了DBR结构中裂纹的产生,得到了表面均方根粗糙度仅为0.4 nm且导电性能良好的n型DBR,其在369 nm处峰值反射率为68%,阻带宽度为10 nm。在获得导电DBR的基础上,进一步在n型6H-SiC衬底上构建了有、无DBR的垂直结构紫外LED。对比两者电致发光光谱,发现DBR结构的引入有效增强了LED紫外发光强度。     

非故意掺杂GaN层厚度对蓝光LED波长均匀性的影响

通过调整非故意掺杂氮化镓层的厚度,分析氮化镓基LED外延生长过程中应力的演变行为,以控制外延片表面的翘曲程度,从而获得高均匀性与一致性的外延片。由于衬底与外延层之间的热膨胀系数差别较大,在生长温度不断变化的过程中,外延片的翘曲状态也随之改变。在n型氮化镓生长结束时,外延片处于凹面变形状态。在随后的过程中,外延薄膜"凹面"变形程度不断减小,甚至转变为"凸面"变形,所以n型氮化镓生长结束时外延片的变形程度会直接影响多量子阱沉积时外延片的翘曲状态。当非掺杂氮化镓沉积厚度为3.63μm时,外延片在n型氮化镓层生长结束时变形程度最大,在沉积多量子阱时表面最为平整,这与PLmapping测试所得波长分布以及标准差值最小相一致。通过合理控制非故意掺杂氮化镓层的厚度以调节外延层中的应力状态,可获得均匀性与一致性良好的LED外延片。     

In situ XPS study of Pd(1 1 1) oxidation. Part 1: 2D oxide formation in 10 mbar O2

The oxidation of the Pd(1 1 1) surface was studied by in situ XPS during heating and cooling in 3 × 10⁻³ mbar O₂. A number of adsorbed/dissolved oxygen species were identified by in situ XPS, such as the two dimensional surface oxide (Pd₅O₄), the supersaturated O_ads layer, dissolved oxygen and the R 12.2° surface structure.Exposure of the Pd(1 1 1) single crystal to 3 × 10⁻³ mbar O₂ at 425 K led to formation of the 2D oxide phase, which was in equilibrium with a supersaturated O_ads layer. The supersaturated O_ads layer was characterized by the O 1s core level peak at 530.37 eV. The 2D oxide, Pd₅O₄, was characterized by two O 1s components at 528.92 eV and 529.52 eV and by two oxygen-induced Pd 3d_5/2 components at 335.5 eV and 336.24 eV. During heating in 3 × 10⁻³ mbar O₂ the supersaturated O_ads layer disappeared whereas the fraction of the surface covered with the 2D oxide grew. The surface was completely covered with the 2D oxide between 600 K and 655 K. Depth profiling by photon energy variation confirmed the surface nature of the 2D oxide. The 2D oxide decomposed completely above 717 K. Diffusion of oxygen in the palladium bulk occurred at these temperatures. A substantial oxygen signal assigned to the dissolved species was detected even at 923 K. The dissolved oxygen was characterised by the O 1s core level peak at 528.98 eV. The “bulk” nature of the dissolved oxygen species was verified by depth profiling.During cooling in 3 × 10⁻³ mbar O₂, the oxidised Pd²⁺ species appeared at 788 K whereas the 2D oxide decomposed at 717 K during heating. The surface oxidised states exhibited an inverse hysteresis. The oxidised palladium state observed during cooling was assigned to a new oxide phase, probably the R 12.2° structure.     

Roles of SiH4 and SiF4 in growth and structural changes of poly-Si films

The structural properties of polycrystalline silicon films, prepared by plasma enhanced chemical vapor deposition system, with different flow rates of SiH₄/SiF₄ mixtures at 300 °C were investigated. This study indicates that the low hydrogen coverage on the growing surface, under optimum fluorine radicals, will be leaded to an improvement of crystallized area as compared with case of high hydrogen coverage surface. Moreover, the studies of the role of SiH₄ and SiF₄ radicals show that the SiH₄ radicals are important in the nucleation and growth of grains. However, SiF₄ radicals are effective in the structural change of grain boundaries regions and by this way, in the present system, establish the growth of grains under the dominant 〈1 1 0〉 direction. The stress investigation indicates that addition of high flow rate of SiF₄ in amorphous film, results in the nearly stress free films. Finally, we found that the changes in g-value reflect the changes in the intrinsic compressive and tensile stress in the both polycrystalline and amorphous silicon films.     

Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts

Recently, we have developed a new tight-binding quantum chemical molecular dynamics program “Colors” for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO₂(111) support. Significant electron transfer from the Pt particle to the CeO₂(111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO₂ surface is a main reason for the strong interaction of the Pt particle and CeO₂(111) support.