低覆盖度的Au/GaN(0001)界面的同步辐射研究

利用同步辐射光电子能谱研究了低覆盖度Au在GaN(0001)表面的初始生长模式,肖特基势垒高 度以及界面的电子结构.结果表明，Au沉积初始阶段有界面的化学反应,随后呈三维岛状生长 .由光电子能谱实验确定的肖特基势垒高度为14 eV. 通过对界面价带谱和Au 4f芯能级谱 的分析,确定了界面化学反应的存在.利用线性缀加平面波方法计算了GaN(0001)和Au的价带 态密度并分析了化学反应产生的机理,认为在初始阶段界面形成了Au_Ga合金. 关键词： 同步辐射 光电子能谱 Au/GaN欧姆接触 态密度     

Effect of double AlN buffer layer on the qualities of GaN films grown by radio-frequency molecular beam epitaxy

This paper reports that the GaN thin films with Ga-polarity and high quality were grown by radio-frequency molecular beam epitaxy on sapphire （0001） substrate with a double A1N buffer layer. The buffer layer consists of a high-temperature （HT） A1N layer and a low-temperature （LT） A1N layer grown at 800℃ and 600℃, respectively. It is demonstrated that the HT-A1N layer can result in the growth of GaN epilayer in Ga-polarity and the LT-A1N layer is helpful for the improvement of the epilayer quality. It is observed that the carrier mobility of the GaN epilayer increases from 458 to 858cm^2/V.s at room temperature when the thickness of LT-A1N layer varies from 0 to 20nm. The full width at half maximum of x-ray rocking curves also demonstrates a substantial improvement in the quality of GaN epilavers by the utilization of LT-A1N layer.     

离心压缩机叶轮三维有限元强度分析系统

根据离心压缩机叶轮形状的特点,通过有效的网格自动划分和边界条件的处理,采用三维有限元方法进行了强度计算与分析,从而建立了离心叶轮三维有限元强度分析系统。对于叶轮与主轴之间的过盈配合,求出配合处由于变形而产生的弹性支力,以载荷形式施加于配合之处,由于计算时不加入主轴,从而减少了一,通过等厚度圆尖力的计算验证了有限元程序的可靠性,最二,对一个实际的三元流叶轮进行了计算,通过编制的后处理软件,对影响叶轮     

离心泵三元扭曲叶片设计的研究

本文参照离心压缩机三元扭曲叶片的设计方法,发展了一种离心泵叶轮三元叶片的设计方法。采用液流角动量作为控制叶片弯扭规律的参数,考虑流动分离对叶片中心面形状的影响,对沿轮盘、轮盖处相对流线上角动量分布形式的确定原则进行了分析与改进。通过引进叶轮水力效率来计及粘性的综合影响,使基于平均S2m流面反问题的计算方法更符合实际情况。最后对一离心泵的叶片进行计算,得到了较好的叶片形式。     

Au-Ag/TiO_2-NB纳米纸催化剂的制备及其在CO低温催化氧化中的应用

采用连续两步光沉积法,在TiO2纳米带(TiO2-NB)表面沉积双金属Au-Ag纳米颗粒制得Au-Ag/TiO2-NB一维纳米结构,并将其组装成纳米纸多孔催化剂(Cat),其结构、形貌和性能经SEM,TEM,ICP,XRD,XPS和UV-Vis表征。以CO低温催化氧化为探针反应,考察了Ag/Au比(n)和还原预处理温度(T)对Cat催化活性的影响。结果表明:Cat0.8400表现出最佳的催化活性,CO转化率达94%。催化剂的失活是由反应初期极小尺寸的金属纳米颗粒团聚烧结和反应过程中中间产物碳酸盐的生成所致。     

轴流压缩机叶栅内固体微粒沉积的数值研究

本文针对轴流压缩机叶栅内固体微粒沉积的问题,采用计算流体动力学(CFD)软件对压缩机叶栅内的气固两相流动进行了模拟。文中首先采用不同的湍流模型和不同的壁面处理方法计算了垂直圆管内固体微粒的沉积,并与实验数据进行了对比。在此基础上,研究了轴流压缩机叶栅内不同直径粒子在叶片压力面和吸力面的沉积规律;且研究了不同工况对粒子沉积的影响。     

Properties of GaN on different polarity buffer layers by hydride vapour phase epitaxy

This paper reports on N-, mixed-, and Ga-polarity buffer layers are grown by molecular beam epitaxy (MBE) on sapphire (0001) substrates, with the GaN thicker films grown on the buffer layer with different polarity by hydride vapour epitaxy technique (HVPE). The surface morphology, structural and optical properties of these HVPE-GaN epilayers are characterized by wet chemical etching, scanning electron microscope, x-ray diffraction, and photoluminescence spectrum respectively. It finds that the N-polarity film is unstable against the higher growth temperature and wet chemical etching, while that of GaN polarity one is stable. The results indicate that the crystalline quality of HVPE-GaN epilayers depends on the polarity of buffer layers.     

GaN layers with different polarities prepared by radio frequency molecular beam epitaxy and characterized by Raman scattering

GaN layers with different polarities have been prepared by radio-frequency molecular beam epitaxy (RF-MBE) and characterized by Raman scattering. Polarity control are realized by controlling Al/N flux ratio during high temperature AlN buffer growth. The Raman results illustrate that the N-polarity GaN films have frequency shifts at $A_{1}$(LO) mode because of their high carrier density; the forbidden $A_{1}$(TO) mode occurs for mixed-polarity GaN films due to the destroyed translation symmetry by inversion domain boundaries (IDBS); Raman spectra for Ga-polarity GaN films show that they have neither frequency shifts mode nor forbidden mode. These results indicate that Ga-polarity GaN films have a better quality, and they are in good agreement with the results obtained from the room temperature Hall mobility. The best values of Ga-polarity GaN films are 1042 cm$^{2}$/Vs with a carrier density of 1.0$\times $10$^{17}$~cm$^{ - 3}$.     

Al掺杂的锂离子电池层状正极材料Li(Li0.17Ni0.17Al0.04Fe0.13Mn0.49)O2结构稳定性及氧离子氧化的理论研究

锂离子电池(LIB)正极材料比容量及结构稳定性的提高是提升电池整体性能的重要因素. 本工作选取层状无钴正极材料Li(Li_0.17Ni_0.17Al_0.04Fe_0.13Mn_0.49)O₂ (LNAFMO)为研究对象, 使用GGA (generalized gradient approximation)+U (Hubbard U value)方法研究了体系在充电时几何和电子结构变化、氧释放焓、脱锂形成能和脱锂电压. 研究结果表明, 充电时LNAFMO体系首先Ni氧化, 然后Fe氧化, 最后O氧化. 与未掺杂Al的Li(Li_0.17Ni_0.17Fe_0.17Mn_0.49)O₂ (LNFMO)体系不同的是, 除具有线性Li-O-Li和Fe-O-Li构型的氧离子更容易给出电子外, 具有线性Al-O-Li构型的氧离子也参与电荷补偿, 并且氧离子具有很强的活性, 这将避免参与氧化的氧离子过分集中, 有利于结构的稳定; Al的掺杂能进一步抑制氧的释放, 这将提升体系的结构稳定性和电池循环性能. 该研究为设计一种低经济成本、循环性良好、高能量密度的锂离子电池正极材料奠定了坚实的理论依据.