水浴温度对CdS薄膜性能的影响

采用化学水浴法,以不同水浴温度在玻璃衬底上沉积CdS薄膜并制备CIGS薄膜太阳能电池,研究了水浴温度对CdS薄膜和CIGS太阳能电池性能的影响.结果表明:水浴温度对CdS薄膜的致密性、沉积速率、透过率和成分比率都有影响.在65-80℃之间制备的CdS薄膜均匀致密且透过率高,可作为CIGS太阳能电池的缓冲层;另外,CdS缓冲层的厚度对CIGS电池的性能影响显著,较薄的CdS缓冲层能够增加CIGS电池在400-500 nm波段对光线的吸收,提高CIGS电池的短路电流.     

ZnS(Se,Te)的电子、弹性和光学性质的第一性原理研究

本文采用密度泛函第一性原理的理论计算方法,研究了二元化合物半导体ZnS(Se、Te)的电子能带结构、弹性及光学性质.计算得到的弹性相关的物理量如弹性常数和实验值符合较好.低温下ZnS、ZnSe和ZnTe的德拜温度分别为274.725 K、220.466 K和162.165 K,随阴离子半径的增大,德拜温度呈减小趋势.ZnS、ZnSe和ZnTe的静态介电常数ε1(0)分别为4.71、5.58和7.18.在低能区,介电函数实部随入射光子能量的增加而增加,ZnTe的介电常数值达到最大值(13.78)时对应的光子能量最小(3.61 eV).ZnS、ZnSe和ZnTe的静态折射率分别为2.17、2.36和2.68.在外场作用下,这三者的折射率最大值分别为nZaS(7028 eV)=3.57、nZnSe(6.60 eV) =3.56和nZnTe (3.69 eV)=3.82.通过吸收系数图谱拟合出ZnS(Se、Te)的吸收边分别为3.7953 eV、2.9329 eV和2.48765eV,与实验值非常接近.     

Cu(In,Ga)Se2薄膜太阳电池二极管特性的研究

本文采用线性拟合光态和暗态J-V(电流-电压)曲线的方法计算了不同效率的Cu(In,Ga)Se2(CIGS)薄膜太阳电池的二极管性能参数.在一定范围内,CIGS薄膜电池的二极管品质因子A和反向饱和电流J0值越小,电池的转换效率越高,这说明CIGS电池的复合主要发生在PN结区内.量子效率分析表明,不同效率的CIGS电池在短波区(λ<520 nm)的光谱响应相差不大,而在长波区(520～1100 nm),低效率电池存在很大的吸收,这是由低质量的CIGS吸收层造成的.这进一步验证了光-暗态J-V曲线的分析结果,即高质量的吸收层是制备CIGS电池的关键.     

化学浴法制备CdS薄膜及其光电性能研究

本文用氯化镉、氯化铵、硫脲和氨水的溶液体系采用化学浴沉积法合成CdS薄膜,制备出均匀、致密的CdS薄膜,通过XRD、SEM、EDS、紫外可见吸收光谱等表征手段研究了CdS薄膜的晶体结构,表面形貌,元素比例和光电性能.发现在不同水浴温度下都成功制备了CdS薄膜,其中75℃制备的CdS薄膜最为均匀致密且其XRD衍射峰强度最强,光吸收边在500 nm附近,禁带宽度大约为2.52 eV.这些CdS薄膜的光电响应大,暗态及光照下的电导率分别为1×10-4S·cm-1和1.04×10-2 S · cm-1.用它们制备的CdS/CZTS异质结太阳电池具有明显的光伏效应.     

Sb2(S1-x Sex)3(0≤x≤1)薄膜太阳能电池的研究进展

Sb2(S1-xSex)3(0≤x≤1)化合物是重要的半导体材料,主要包括Sb2Se3、Sb2Se3及Sb2(S,Se)3三种材料,元素储量丰富且环境友好、组分简单、价格低廉,同时其禁带宽度合适(1.1～1.8 eV),吸光系数大(＞105 cm-1),非常适合用作新型低成本低毒的薄膜太阳能电池的吸收层,有可能成为下一个研究热点.本文综述了近几年来Sb2Se3、Sb2Se3及Sb2(S,Se)3薄膜太阳能电池的研究进展,并对其发展趋势进行了展望.     

Sb-Na共掺p型ZnO的第一性原理研究

运用密度泛函理论,计算了Sbzn、Nazn、Sbzn-nNazn掺杂ZnO晶体的稳定性、能带结构和电子态密度.研究发现Sbzn、Nazn、Sbzn-nNazn掺杂ZnO晶体的结构稳定,Sb-Na共掺杂改善了体系的固溶度.能带结构表明,SbZn体系为n型间接带隙半导体材料;NaZn、Sbzn-2NaZn体系为p型半导体材料;Sbzn-NaZn、SbZn-3NaZn体系为本征半导体材料.对p型半导体材料体系的导电性能研究发现,Sbzn-2Nazn体系电导率大于NaZn体系的电导率,即Sbzn-2NaZn掺杂改善了体系的导电性.计算结果为实验制备p型ZnO材料提供了理论指导.     

Ga源温度对共蒸发三步法制备Cu(In,Ga)Se2太阳电池的影响

利用共蒸发三步法制备了Cu(In,Ga)Se2(CIGS)薄膜,并通过调整制备工艺中的一、三步的金属镓(Ga)的温度,改变Ga含量的梯度分布,研究不同梯度分布对CIGS薄膜及电池性能的影响.从而优化了电池带隙梯度分布,使电池的开路电压Voc在提高的同时,最大程度的减小了Jsc的损失.优化后薄膜表面的结晶情况得到改善,电池的结界面和二极管特性也得到相应的提高.量子效率测试发现,优化后的CIGS太阳电池在较长波段中(520～1100nm)的光子吸收损失大大减小.     

多晶Cu(In,Ga)Se2薄膜太阳电池光强特性的研究

本文系统研究了Cu(In,Ga)Se2(CIGS)薄膜太阳电池在入射光强为10～100 mW/cm2范围内的性能参数.结果表明,随光强的减弱,CIGS电池的转换效率、填充因子、短路电流密度和开路电压等性能参数逐步衰减;电池参数与光强的依赖关系可明显划分为两个阶段:光强高于75 mW/cm2时,电池性能变化不大;当光强低于70 mW/cm2时,电池性能衰减明显.这是由于随着光强的降低,RS(串联电阻)值和RSH(并联电阻)值都在升高.其中,RSH值的增大使得CIGS电池的弱光特性变好,但较小的RSH值并不能弥补RS所导致电池性能的衰退.最后,发现高Ga含量的CIGS薄膜电池(8.7;)比低Ga含量(6.9;)的电池弱光特性好.     

CZTSe/Cd1-xZnxS界面能带结构研究

严重的开路电压损耗是限制铜锌锡硫(硒)薄膜太阳电池性能提升的关键问题,其吸收层和缓冲层界面的能带结构有待进一步优化.针对此问题,本文对CZTSe/Cd1-xZnxS界面的能带结构进行了研究.首先,模拟计算了化学水浴法制备Cd1-xZnxS薄膜所需的溶液体系条件,通过椭偏仪和SEM测试结果分析了不同Cd/Zn比例的Cd1-xZnxS缓冲层形貌、光学特性以及禁带宽度.然后,对CZTSe/Cd1-xZnxS界面进行了XPS测试分析,发现CZTSe/Cd0.9Zn01S界面最为匹配,其导带失调值约为0.3 eV.最后对电池器件进行了制备与测试,得到的CZTSe/Cd0.9Zn0.1S结构的太阳电池比CZTSe/CdS结构具有更高的开路电压,达到了394 mV,转换效率达到了5.78;.     

单壁碳纳米管的电子结构与声子谱的第一性原理计算

针对三种结构类型的单壁碳纳米管的电子结构和声子谱,采用基于密度泛函理论的第一性原理以及CASTEP软件进行了理论计算.在完成建模和结构优化的基础上,对扶手椅型(10,10)、锯齿型(6,0)和螺旋型(4,2)单壁碳纳米管的电子能带及电子态密度、声子谱及声子态密度进行了理论计算,并对计算结果进行了理论分析.结果表明:(10,10)及(6,0)单壁碳纳米管无能量禁带,它们属于金属型管;而(4,2)单壁碳纳米管有一宽度为0.85 eV的能量禁带,它属于半导体型管.以上计算结果与用其它判据给出的结论相一致.在以上三种管的声子谱中,它们依次有120条、72条和168条(其中有简并情况)色散曲线,并且它们的声子态密度依次在频率41.88 THz、23.95THz和23.43 THz处出现最大值,即在这些频率附近的格波最多.这一计算结果与物理规律是一致的.     

On the inhomogeneity of the transition surface layer of the solid core of the earth

Different geophysical data and conclusions of theoretical models, which can give information about the behavior of the solid and liquid cores of the Earth as well as about the existence of a transition layer as a temperature-hysteresis region at a relatively weak first-order phase transition, are compared. It is concluded that liquid inclusions inevitably exist in this region; these inclusions are involved (due to the complex convective processes occurring in the liquid core) in the transport of light materials from some areas of the solid-core surface. The porosity and permeability of the transition layer determine the seismic acoustic inhomogeneities in these areas, which contact the convective flows in the liquid core. In particular, this explains the well-known ??east-west?? effect. Obviously, the model of the crystalline core is not the only possible alternative for a model of a core with a metallic glasslike structure.     

Study of the influence of the rare-earth elements on the properties of lead iodide

Lead iodide (PbI₂) shows excellent electronic properties for detection of ionizing radiation. We report the introduction of rare-earth elements and other elements as admixtures during synthesis to study their influence on the quality of single crystals. Synthesized material as well as single crystals have been characterized by measurements of electrical resistivity and low-temperature photo luminescence and index of refraction. The structural quality with respect to polytypes was analysed by electron back scatter diffraction. Makyoh topography was applied for surface studies.     

On the role of the porous shell of the solid core of the earth in the anomalous heat and mass flow to the mantle

The model of the pressure-induced first-order phase transition of a metal melt to the metallicglass state considers a thermodynamically nonequilibrium porous near-surface shell of the solid core of the Earth, which contacts cyclonic vortices in the liquid core. Anomalous flows of heat and light-material mass to the mantle from the solid core at these contact points are calculated. These anomalous flows are shown to be comparable with the observed ones under the assumption of a rapid increase in the melt viscosity at pressures of 1–10 Mbar, which is characteristic of a solid core. In this case, the porous layer permeability may be very low.     

Effect of the temperature on the TMOS sono-hydrolysis and a study of the structure of the resulting aged sonogels

The effect of temperature on the oxalic acid catalyzed sono-hydrolysis of tetramethoxysilane (TMOS) was studied by means of a heat flux calorimetric method. The activation energy of the process was measured as (24.5 ± 0.8) kJ/mol in the temperature range between 10 and 50 °C. The structural characteristics of the resulting sonogels, after long period of aging in saturated conditions, were studied by means of small angle X-ray scattering. The structure can be described as formed by ∼2.7 nm mean size mass fractal-like aggregates (clusters) of primary silica particles of ∼0.3 nm mean size, all imbibed in a liquid phase. The average mass fractal dimension of the clusters was found to be 2.58. The primary particle density was estimated as 2.23 g/cm³, in good agreement with the value frequently quoted for fused silica. The volume fraction of the clusters in the saturated sonogels was estimated as about 28%. The moment in which the meniscus of the liquid phase penetrates into the clusters under rapid evaporation process has been detected by an inflection in the first derivative of the curve of weight loss in a simple thermogravimetric test.     

Computer Modelling of the Light Propagation through the Complex Anisotropy Systems - the way of a Determination of the Optical Parameters of the Liquid Crystal Displays

A mathematical and numerical method for an analysis of a liquid crystal displays (LCD) has been presented. The assumptions of the calculations of a light propagation through the display are shown. The real conditions of a work of these displays have been taken into account. Basing of this mathematical model a computer program for a numerical modelling of the optical parameters of LC displays working in real conditions has been worked out. This program makes possible to obtain the most important parameters of a display such as: contrast ratio, luminance in on- and off-state, spectral characteristics of light and its colour coordinates in these both states. The results obtained from this program have been verified experimentally. Very high conformity of these results has been obtained.     

Experimental Investigations of the Conditions for the Formation of the Liquid Crystalline State of Polymers

The diagrams of state for concentrated PBG solution in coordinates relating volume fraction-geometric asymmetry and volume fraction-temperature are investigated. The order parameter for macromolecules in the anisortropic phase is dettermined. The experimental data compare with the existing theoretical models for th formation of the liquid crystalline state in solutions of stiff polymer molecule. It is shown that experimental data are in good quantitative agreement with the Flory's lattice model.     

Influence of the Crystal Structure of the Nucleus on the Morphology of t-ZnO Tetrapods

Crystallography Reports - A new approach to simulating the morphology of hierarchical nanocrystals has been proposed on the example of ZnO nanotetrapods. Within this approach, twinning is...     

Features of the magnetic state of the layered Fe-V nanostructure of the superconductor-ferromagnet type

The magnetic state of the V(39 nm)/20 [V(3 nm)/Fe(3 nm)] nanostructure has been investigated by polarized neutron reflectometry in the temperature range from 1.6 to 30 K in magnetic fields from 0.2 to 15 kOe. The data obtained indicate that the superconductivity of vanadium layers may affect magnetic ordering both over the depth of the structure and in its plane.