真空热蒸发制备CdS/ZnS核/壳异质结纳米线

将传统的真空热蒸发镀膜实验加以改进,先以催化剂辅助蒸发制备出CdS纳米线,再将其作为模板,以ZnS为蒸发源物质,二次蒸发包覆ZnS层,成功制备出大量的CdS/ZnS核/壳异质结纳米线.经X射线衍射、X射线能量色散谱、透射电镜分析表明,所得CdS/ZnS异质结纳米线的核心部分为CdS单晶纳米线,外层为ZnS多晶层.本文的实验方法简便易行,所得纳米结构在光电纳米器件领域有一定应用前景.     

合成参数对气-液-固法低温生长MgO纳米线的影响

将Mg(C11H19O2)2(即双(2,2,6,6,-四甲基-3,5-庚二酮酸)镁)作为反应前驱体,用脉冲液滴注入式金属有机物化学气相沉积法,在较低温度(T=600℃)下合成MgO纳米线.纳米线沿着[001]方向生长且Au催化剂位于纳米线顶端,这表明纳米线是由气-液-固机制诱导生长的.通过改变前驱体注入的脉冲周期或周期注入剂量能够控制纳米线的生长模式,使之垂直或平行于样品表面生长.     

ZnO纳米线的合成与生长机理

采用化学气相沉积系统制备ZnO纳米线,以覆盖一层约5nm厚的Ag薄膜的单晶Si(001)为衬底,纳米线的生长遵循气-液-固(VLS)机理。对得到的样品采用X射线衍射(XRD)和扫描电镜(SEM)进行晶体结构和形貌的表征。XRD结果表明衬底温度在600~700℃时生长的ZnO纳米线具有六方结构和统一的取向。通过扫描电子显微镜分析,比较了生长温度对纳米线直径和长度的影响。实验表明我们可以通过催化剂和温度来实现ZnO纳米线生长的可控。与传统的VLS生长方式不同的是在我们制备的ZnO纳米线顶端并没有看到催化剂颗粒,表明纳米线的生长方式是底部生长,我们对其生长机理进行了研究。     

自然循环型气液固三相流载气蒸发传热的实验研究

符号表Cs固体颗粒在液体中的含量vol．％dp固体颗粒直径mmde实验段当量直径mmh表面传热系数kw／m2Kk液体导热率W／mKq热通量kw／m2r液体汽化潜热kJ／kgTw加热壁面温度℃ug载气表现速度mm／sul循环液速m／sρg载气的密度kg／m3ρl液体的密度kg／m3ρs固体颗粒的密度kg／m3μg气相粘度mPa·sμl液相粘度mPa·sBo沸腾准数Nu努塞尔准数Reg载气雷诺数Rel液体雷诺数沸腾与蒸发装置内换热壁面上的结垢与结疤是降低换热效率的重要因素之一。换热装置的防垢抗垢一直受到重视。近年来，一些研究者将固体颗粒引入换热器的加热管内，形成流化床换热…     

Si纳米线的固-液-固可控生长及其形成机理分析

以Au膜作为金属催化剂,直接从n-(111)Si单晶衬底上制备了直径为30—60nm和长度从几微米到几十微米的高质量Si纳米线.实验研究了Au膜层厚、退火温度、N2气流量和生长时间对Si纳米线形成的影响.结果表明,通过合理选择和优化组合上述各种工艺条件,可以实现直径、长度、形状和取向可控的纳米线生长.基于固-液-固生长机理,定性阐述了Si纳米线的形成过程.     

真空下气-固界面热适应系数的数值计算

根据热适应系数的理论研究成果,结合国外学者的部分实验数据,对气-固界面热适应系数的主要影响因素进行定性的讨论;同时在S.Song和M.M.Yovannovich的公式基础上,最小二乘法拟合国外学者低温下实验测量的热适应系数,采用C语言编程算出拟合公式中的参数,分析拟合公式α=aFM/(b+M)+2.4μ(1-F)/(1+μ)2,F=exp(c(T-T0)/T0)中的参数a,b,c的特性;数值计算迭代收敛和拟合公式的计算误差在±20%以内表明:数值拟合公式可用在工程上计算热适应系数,S.Song和M.M.Yovannovich的公式可数值拟合低温下不同气-固界面的热适应系数的计算公式。     

纳米ZnO生长及性质分析

利用低压金属有机化学气相沉积(LP-MOCVD)技术,在表面含有ZnO颗粒作为催化剂的Si(111)衬底上制备了ZnO纳米柱阵列。采用X射线衍射(XRD)、喇曼光谱(Raman)、扫描电子显微镜(SEM)、光致发光(PL)谱分析了样品的晶体结构质量、表面性质和光学性质。结果表明,生长出来的纳米ZnO具有较好的c轴择优取向性。发现氧分压对ZnO纳米柱的生长有重要影响:当氧分压较低时,生长基于VLS机制;当氧分压较高时,生长基于VS机制;通过对N2O流量的控制可实现对ZnO纳米材料的可控生长。     

Phase Transition and Phonon Spectrum of Zinc-Blende Structure ZnX （X = S,Se, Te）

Calculations have been performed to investigate the pressure-induced solid-solid phase transitions and the mechanical stability for three zinc-blende II-VI semiconductor compounds： ZnS, ZnSe, ZnTe by ab initio plane-wave pseudopotential density functional theory （DFT）. Using the generalized gradient approximation （GGA） for exchange and correlation in the scheme of Perdew-Wang 1991 （P Wgl ）, the ground state properties and equation of state are obtained, which are well consistent with the experimental data available and other calculations. On the basis of the forth-order Birch-Murnaghan equation of states, the transition pressures Pt are determined through the analysis of enthalpy variation with pressure. A linear-response approach is used to calculate the frequencies of the phonon dispersion. Finally, by the calculations of phonon frequencies, some thermodynamic properties such as the vibrational contribution to the Helmholtz free energy （F）, enthedpy （H）, entropy （S）, and the heat capacity （Cv ） are also successfully obtained.     

真空绝热板(VIP)热桥效应的扩展模型分析

做为一种新型、高效的绝热材料,真空绝热板在其使用过程中不可避免会产生热桥效应,从而在一定程度上影响了板材整体绝热性能.文中介绍利用能量守恒方程建立了VIP热桥效应的扩展分析模型,通过对扩展模型方程的求解和分析,进一步分析了VIP热桥效应的影响参数.通过比对分析,提出的计算模型与国外数据模型得到了较好的吻合,可利用该扩展...     

NiAs、PbO型FeX(X=S,Se,Te)结构的稳定性与电子特征

利用基于密度泛函理论的第一性原理方法,Ni As与Pb O型Fe X(X=S,Se,Te)结构的稳定性与电子特征得到了研究.计算结果显示Fe的内聚能与X-Fe元素之间的相互作用是影响Fe X结构稳定性的重要因素.当X原子半径较小、电负性较大时(X=S),Fe X趋向于形成Fe-X相互作用较强、密度较大的Ni As型结构;当X原子半径较大、电负性较小时(X=Se,Te),Fe X趋向于形成Fe-Fe相互作用较强、密度较小的Pb O型结构.此外,压强使得Pb O型Fe X结构的稳定性降低.当压强分别大于5、9 GPa时,Fe Te、Fe Se趋向于形成Ni As型结构.Pb O型Fe Se中Fe原子周围的电子密度随压强的增大而增大.     

强磁场对真空蒸镀制取Te薄膜的影响

采用强磁场下物理气相沉积方法,在单晶硅、玻璃板和聚乙烯（PET）基片上真空蒸发制取Te膜.结果显示在三种不同的基片上生长Te膜时,4 T强磁场能够加快Te膜的形核长大,增大Te膜的颗粒尺度,使晶粒〈011〉方向取向性增强. 关键词： 真空蒸镀 强磁场 晶面取向 Te薄膜     

Uniaxial strain-modulated electronic structures of CdX (X = S,Se, Te) from first-principles calculations:A comparison between bulk and nanowires

Using first-principles calculations based on density functional theory, we systematically study the structural deformation and electronic properties of wurtzite CdX(X = S, Se, Te) bulk and nanowires(NWs) under uniaxial [0001] strain. Due to the intrinsic shrinking strain induced by surface contraction, large NWs with {10ˉ10} facets have heavy hole(HH)-like valence band maximum(VBM) states, while NWs with {11ˉ20} facets have crystal hole(CH)-like VBM states. The external uniaxial strain induces an HH–CH band crossing at a critical strain for both bulk and NWs, resulting in nonlinear variations in band gap and hole effective mass at VBM. Unlike the bulk phase, the critical strain of NWs highly depends on the character of the VBM state in the unstrained case, which is closely related to the size and facet of NWs. The critical strain of bulk is at compressive range, while the critical strain of NWs with HH-like and CH-like VBM appears at compressive and tensile strain, respectively. Due to the HH–CH band crossing, the charge distribution of the VBM state in NWs can also be tuned by the external uniaxial strain. Despite the complication of the VBM state, the electron effective mass at conduction band minimum(CBM) of NWs shows a linear relation with the CBM–HH energy difference, the same as the bulk material.     

In-situ growth of a CdS window layer by vacuum thermal evaporation for CIGS thin film solar cell applications

Highly crystalline and transparent CdS films are grown by utilizing the vacuum thermal evaporation （VTE） method. The structural, surface morphological, and optical properties of the films are studied and compared with those prepared by chemical bath deposition （CBD）. It is found that the films deposited at a high substrate temperature （200 ℃） have a preferential orientation along （002） which is consistent with CBD-grown films. Absorption spectra reveal that the films are highly transparent and the optical band gap values are found to be in a range of 2.44 eV-2.56 eV. Culnl_xGaxSe2 （CIGS） solar cells with in-situ VTE-grown CdS films exhibit higher values of Voc together with smaller values of Jsc than those from CBD. Eventually the conversion efficiency and fill factor become slightly better than those from the CBD method. Our work suggests that the in-situ thermal evaporation method can be a competitive alternative to the CBD method, particularly in the physical- and vacuum-based CIGS technology.     

Studies on the local structures and the spin Hamiltonian parameters for Fe3+ in CdX (X = S,Se, Te)

The improved perturbation formulas of the spin Hamiltonian parameters (zero-field splitting D and g factors) for a 3d⁵ ion in trigonally distorted tetrahedra are constructed from the cluster approach by including both the crystal-field and charge-transfer contributions. These formulas are applied to the studies of the local structures and the electron paramagnetic resonance (EPR) spectra for Fe³⁺ in CdX (X = S, Se, Te). The impurity Fe³⁺ is found not to occupy exactly the host Cd²⁺ sites but to experience the small outward shifts 0.014 and 0.006 Å away from the ligand triangles along the C₃ axis in CdS and CdSe, respectively. The charge-transfer contributions to the spin Hamiltonian parameters are important and increase significantly with increasing atomic number of the ligand (i.e., S^2? < Se^2? < Te^2?) arising from the decreases of charge-transfer energy levels and the increases of ligand spin–orbit coupling coefficients. The results are discussed.     

ZnO microbowls grown on ITO glass substrate through thermal evaporation

Novel ZnO microbowls are successfully synthesized by thermal evaporating of a mixture of ZnS powder and Zn powder. The morphologies of the as-synthesized products can be adjusted by changing the temperature and the type of substrate. The morphologies, microstructures, and photoluminescence properties are investigated by X-ray diffraction, Raman spectroscopy, scanning electron microscope, and photoluminescence spectroscopy respectively. The growth mechanism of the as-synthesized ZnO microbowls is proposed based on the experimental results. ZnO microbowls presented here can be used as building blocks to fabricate optical and optoelectronic micro/nano devices.     

ZnO microbowls grown on an ITO glass substrate through thermal evaporation

Novel ZnO microbowls are successfully synthesized by the thermal evaporating of a mixture of ZnS powder and Zn powder. The morphologies of the as-synthesized products can be adjusted by changing the temperature and the type of substrate. The morphologies, microstructures, and photoluminescence properties are investigated by X-ray diffraction, Raman spectroscopy, scanning electron microscope, and photoluminescence spectroscopy respectively. The growth mechanism of the as-synthesized ZnO microbowls is proposed based on the experimental results. ZnO microbowls presented here can be used as building blocks to fabricate optical and optoelectronic micro/nano devices.     

H2X(X=O,S,Se,Te)分子的双光子激发

本文采用全相对论量子力学计算了H₂X (X=O, S, Se, Te) 分子的双光子过程, 并考虑相对论效应对双光子过程的影响. 结果表明, 各个不可约表示对称态下激发能有着明显的差异,它反应了双光子吸收过程中选择能级的特点. 同时, 采用非相对论的对称匹配簇/组态相互作用方法 (SAC-CI) 计算其分子的单光子激发, 并与之比较. 双光子跃迁概率要比单光子跃迁概率小2–5个数量级; 同一主族, 随着原子序数的增加, 相对论效应对分子体系的激发能量、跃迁概率、振子强度的大小都有显著地影响; 除此之外,每个分子遵守分子对称群的选择原则. 本文中, 分子H₂X (X=O, S, Se, Te) 的个别不可约表示对称态的跃迁矩分量和振子强度远远大于其他对称态下的跃迁矩分量和振子强度, 甚至大于单光子激发. 这不仅与分子的对称性有一定的关系, 而且应该是选择双光子跃迁能级的重要依据. 关键词： 全相对论量子力学 双光子激发 电偶极跃迁矩 振子强度     

电阻热蒸发镀膜与电子束蒸发镀膜对纳米球刻蚀方法制备二维银纳米阵列结构的影响

在使用纳米球刻蚀法制备二维银纳米点阵的过程中,使用不同的镀膜方法在同样的模板上得到了不同形貌的银纳米阵列结构.使用电阻热蒸发镀膜方法获得了六角排列的银纳米三角形阵列结构,使用电子束蒸发镀膜方法则获得了六角排列的银纳米环阵列结构.研究表明,沉积纳米粒子的粒径、表面纳米曲率效应和热能是形成不同结构形貌的纳米阵列结构的关键因素. 关键词： 银纳米阵列 电阻热蒸发 电子束蒸发 纳米球刻蚀