Structural, electronic and vibrational properties of indium oxide clusters

Geometric, electronic and vibrational properties of the most stable and energetically favourable configurations of indium oxide clusters In_mO_n (1≤m, n≤4) are investigated using density functional theory. The lowest energy geometries prefer the planar arrangement of the constituent atoms with a trend to maximize the number of ionic In-O bonds. Due to the charge transfer from In to O atoms, the electrostatic repulsion occurs between the atoms with the same kind of charge. The minimization of electrostatic repulsion and the maximization of In-O bond number compete between each other and determine the location of the isometric total energy. The most stable linear In-O-In-O structure of In₂O₂ cluster is attributed to the reduced electrostatic repulsive energy at the expense of In-O bond number, while the lowest energy rhombus-like structure of In₂O₃ cluster reflects the maximized number of In-O bonds. Furthermore, the vibrational frequencies of the lowest energy clusters are calculated and compared with the available experimental results. The energy gap and the charge density distribution for clusters with varying oxygen/indium ratio are also discussed.     

Performance improvement of MEH-PPV:PCBM solar cells using bathocuproine and bathophenanthroline as the buffer layers

In this work, bathocuproine (BCP) and bathophenanthroline (Bphen), commonly used in small-molecule organic solar cells (OSCs), are adopted as the buffer layers to improve the performance of the polymer solar cells (PSCs) based on poly(2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene) (MEH-PPV): [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) bulk heterojunction. By inserting BCP or Bphen between the active layer and the top cathode, all the performance parameters are dramatically improved. The power conversion efficiency is increased by about 70% and 120% with 5-nm BCP and 12-nm Bphen layers, respectively, when compared with that of the devices without any buffer layer. The performance enhancement is attributed to BCP or Bphen (i) increasing the optical field, and hence the absorption in the active layer, (ii) effectively blocking the excitons generated in MEH-PPV from quenching at organic/aluminum (Al) interface due to the large band-gap of BCP or Bphen, which results in a significant reduction in series resistance (Rs), and (iii) preventing damage to the active layer during the metal deposition. Compared with the traditional device using LiF as the buffer layer, the BCP-based devices show a comparable efficiency, while the Bphen-based devices show a much larger efficiency. This is due to the higher electron mobility in Bphen than that in BCP, which facilitates the electron transport and extraction through the buffer layer to the cathode.     

Surfactant-free hydrothermal synthesis of?submicron?BiFeO3?powders

Submicron BiFeO₃ powders were successfully synthesized via a simple hydrothermal process with the assistance of mineralizer (NaOH) at 150–190°C, using FeCl₃ and Bi(NO₃)₃⋅5H₂O as reactants. The effects of mineralizer concentration, reaction temperature and time on the phase evolution and crystal morphology of the resulting samples were investigated. X-ray diffraction (XRD), transmission electron microscopy (TEM), thermogravimetry and differential scanning calorimetry (TG-DSC), and vibrating sample magnetometry (VSM) were used to characterize the as-synthesized samples. The experimental results revealed that a pure BiFeO₃ phase could be formed at a temperature ranging from 170 to 190°C for 4–20 h in the presence of 0.03–0.12 M NaOH. It was found that the mineralizer concentration, reaction temperature and time played a key role in controlling the growing speed of nuclei and formation of BiFeO₃ crystallites. The possible formation mechanisms of submicron BiFeO₃ powders with different morphologies were presented. The magnetization of BiFeO₃ powders showed a weak ferromagnetic behavior at room temperature.     

纳米Fe3 O4 颗粒的正电子湮没谱学研究

测量了磁性纳米Fe₃O₄颗粒的X射线衍射谱(XRD)、正电子湮没寿命谱(PALS)和符合多普勒展宽谱(CDBS),研究了不同压力和退火温度对磁性纳米Fe₃O₄颗粒物相、电子结构、缺陷及电子动量分布等的影响. XRD,PALS,CDBS测量结果表明:纳米Fe₃O₄颗粒的缺陷浓度随压力的增加而增大,但物相和缺陷类型并未发生变化;磁性纳米Fe₃O_{4< 关键词： 正电子 3}O₄')" href="#">Fe₃O₄ 寿命谱 多普勒展宽谱     

单室沉积非晶硅/非晶硅/微晶硅三叠层太阳电池的研究

在产业化比较成熟的单室沉积非晶硅薄膜太阳电池基础上,进行了非晶硅/非晶硅/微晶硅三叠层太阳电池性能优化的研究.在生产线上纯单室沉积的非晶硅/非晶硅叠层太阳电池基础上,通过调节n-p隧穿结并采用自行研制开发的单室微晶硅底电池的沉积路线,获得了单室沉积的光电转换效率达到9.52%的非晶硅/非晶硅/微晶硅三叠层太阳电池. 关键词： 硅基薄膜太阳电池 三叠层 微晶硅     

A new analytical edge spread function fitting model for modulation transfer function measurement

We propose a new analytical edge spread function (ESF) fitting model to measure the modulation transfer function (MTF).The ESF data obtained from a slanted-edge image are fitted to our model through the non-linear least squares (NLLSQ) method.The differentiation of the ESF yields the line spread function (LSF),the Fourier transform of which gives the profile of two-dimensional MTF.Compared with the previous methods,the MTF estimate determined by our method conforms more closely to the reference.A practical application of our MTF measurement in degraded image restoration also validates the accuracy of our model.     

结构光测量相位波动误差补偿方法研究

在计算机仿真分析投影仪伽马非线性特性对包裹相位波动误差影响的基础上,提出一种面向相移结构光测量的相位波动误差补偿方法.该方法采用二次多项式最小二乘拟合的方法近似输出条纹光强分布,实现包裹相位波动误差的补偿,减小投影仪非线性导致的系统测量误差.此方法简单,运算量小,不依赖环境光源及投影仪、摄像机具体参数,具有很强的通用性...     

Identification and elimination of inductively coupled plasma-induced defects in AlxGa1 - xN/GaN heterostructures

By using temperature-dependent Hall,variable-frequency capacitance-voltage and cathodoluminescence (CL) measurements,the identification of inductively coupled plasma (ICP)-induced defect states around the Al x Ga 1-x N/GaN heterointerface and their elimination by subsequent annealing in Al x Ga 1-x N/GaN heterostructures are systematically investigated.The energy levels of interface states with activation energies in a range from 0.211 to 0.253 eV below the conduction band of GaN are observed.The interface state density after the ICP-etching process is as high as 2.75×10 12 cm 2 ·eV 1.The ICP-induced interface states could be reduced by two orders of magnitude by subsequent annealing in N 2 ambient.The CL studies indicate that the ICP-induced defects should be Ga-vacancy related.     

基于低通滤波的相位掩模干涉图相位解调方法

 传统的四步相移算法在分析相位掩模干涉图时存在相移值误差、分辨力降低和相干噪声等不足,从而影响了动态干涉仪的性能。为了提高相位掩模干涉图的分析精度,提出了一种基于低通滤波的相位解调方法。该方法根据相位掩模引入相位的空间频率远大于被测相位空间频率的最大值,采用低通滤波的方法提取相位信息。数值分析结果表明,该方法的精度高于传统四步相移算法。分析干涉图的信噪比,合理选择低通滤波器,可进一步提高相位解调的精度。     

第一性原理研究KDP晶体中Ba取代K点缺陷

 用基于第一性原理的CASTEP模拟了Ba替代K缺陷前后形成的电子结构和能态密度。发现晶体能带宽度降至6.4 eV左右,对应着380 nm的双光子吸收,这一结果可以解释掺Ba晶体在紫外波段的吸收现象。Ba替代K点缺陷仅使其周围的晶格及电子结构发生轻微畸变,对晶体整体结构影响不大。