关于黄铁矿做太阳能电池材料可行性实验研究

本文通过对黄铁矿紫外、可见、近红外光谱的分析,获得黄铁矿对太阳光全光谱的吸收率数据。重点对染料敏化太阳能电池的光阴极进行了实验探究。本人制备了黄铁矿薄膜太阳能电池和以石墨为光阴极的太阳能电池,对各个薄膜形貌进行表征。最后,对各个电池的性能进行了测量比较。并预期在制备太阳电池时,它可能代替硅,而成为今后主要的光伏半导体材料。     

热硫化Co掺杂对纳-微米黄铁矿的晶体结构特征及光吸收性能的影响

过渡金属硫化物黄铁矿是一种优异的光伏材料,掺杂改性是提高黄铁矿光伏性能的一种重要手段。为了探究不同Co掺杂量对黄铁矿的晶体结构和吸光性能的影响,采用热硫化法在360℃时制备出了纳-微米黄铁矿样品。利用Ｘ射线衍射(XRD)和多功能场发射扫描式电子显微镜(FESEM)分析了样品的晶体结构、形貌特征和晶粒尺寸;利用能谱仪(EDS)分析了样品的化学成分,并通过紫外-可见-近红外分光光度计(UV-Vis-NIR)表征了样品的光吸收性能和禁带宽度的变化。结果表明,掺Co并未改变黄铁矿的立方晶型结构,但与未掺杂黄铁矿相比,样品结晶度变差,晶粒发生团聚,尺寸在1～1.45 μm范围内;掺Co量的增加会导致晶粒尺度略微减小,但影响不大。EDS检测表明,实际样品的掺杂并不均匀,当掺Co量小于7 at%时,测试值小于名义掺杂量;而当掺Co量大于7 at%时,Co易发生富集。S/(Fe+Co)的比值在1.92～2.05范围内,表明样品内部的点缺陷数量的变化。反射光谱表明制备样品的禁带宽度E_g在0.57～0.72 eV之间。禁带宽度E_g随着掺杂量的增加,呈现出先减小(Co 3 at%)后增加(Co 5～9 at%)的趋势。掺Co量从0%增加3 at%时,样品内部产生的点缺陷数目增多,形成的附加能级会导致禁带宽度E_g窄化;随着掺Co量进一步增加,S/(Fe+Co)比值更接近于2,晶体结构更趋完善,Fe空位或S间隙点缺陷比率降低,禁带宽度E_g趋近于本征特征,会导致禁带宽度E_g宽化;另外,随着Co含量的提高,物相中微量的CoS₂相增多,亦会导致较高掺Co量样品的禁带宽度有所宽化。掺Co量在9 at%的样品的禁带宽度为0.72 eV,大于同温度条件下未掺杂样品的禁带宽度0.65 eV,禁带宽度的宽化在理论上有利于提高样品的光电转换效率。     

水热条件下生长FeS_2-Fe_(1-x)S异质结构的光吸收特征研究

铁硫系列矿物是重要的金属硫化物,FeS2和Fe1-xS分别是铁硫系列矿物的重要成员。其中黄铁矿(FeS2)具有较大的吸收系数及合适的禁带宽度,适用于做太阳能电池材料,具有较好的应用前景。前人对不同条件下的铁硫系列矿物光伏特性进行了一定的研究,但对于FeS2和Fe1-xS共存情况下光吸收性能研究较少。FeS2和Fe1-xS分别是铁硫系列矿物的重要成员,由于形成条件较为接近,常共生出现。因此,对FeS2和Fe1-xS光吸收性能的研究具有重要意义。以水热条件下合成微米粒状FeS2-Fe1-xS为样本,分别使用SSX-550扫描电子显微镜、多晶X射线衍射仪(XRD)观测表征粉末晶体的形态、成分和结构。结果表明:所测样品主要为FeS2中立方晶系黄铁矿,含有一定量的斜方晶系磁黄铁矿(Fe1-xS),样品平均粒度在5~10μm左右。用Cary500型紫外-可见近红外分光光度计在200~2 000nm范围内测出了样品的吸收谱介于1 860~1 889nm之间,吸收峰值为1 879nm。根据带隙(eV)公式计算样品的禁带宽度为0.657 8eV,对应的"极限转换效率"可达到15%左右,利用第一性原理分析样品禁带宽度变化的原因,并与前人研究结果进行对比。分析认为:矿物内部结构是影响光电转化的重要原因,所合成具有FeS2-Fe1-xS异质结构材料的光吸收特性,较天然地质体中含Co和Ni缺陷的黄铁矿光吸收特性好,光电转换效率有所提高,为深入研究Fe-S系列材料的光伏性能提供了科学依据。     

介绍一个验证光量子性的简易实验──内光效应

内光电效应是光的量子性的又一实验验证，本文介绍了其原理方法，方便可行，有推广价值。     

掺铈氧化钛薄膜光吸收性能的研究

利用射频磁控溅射法制备出TiO2 薄膜及不同掺 Ce 比的 TiO2 薄膜.用紫外-可见分光光度计对薄膜的透过率做了测定,结果显示在一定掺杂范围内随着掺Ce 量的增加,薄膜的光学吸收边出现红移.计算发现通过CeO2 的掺杂,氧化钛薄膜禁带宽度 Eg 由 3.40 eV 减小至2.73 eV,从而使吸收边由366 nm 红移至455 nm 处,增强了对可见光的吸收,这与CeO2 在TiO2 导带与价带间引入杂质能级有关.     

用多功能光栅光谱仪测定GaN膜的光学参数

介绍了用多功能光栅光仪测量GaN膜的吸收系数、折射率等光学参数的方法,并对结果进行了分析比较。     

燃煤黄铁矿迁移转化模拟的研究

基于已有的动力学数据对单颗粒黄铁矿迁移转化进行了全过程模拟,分析讨论了各种因素对黄铁矿氧化过程和S释放率的影响,结果表明:随着颗粒尺寸的减小和炉膛温度的升高,黄铁矿颗粒的分解氧化过程加快,颗粒在炉内停留很短时间内温度即升高到共融点以上,使颗粒呈混熔态,进而导致灰沉积、结渣.颗粒氧化过程中S的释放主要受扩散控制,其释放速率与颗粒粒径成反比,与氧气浓度和炉膛温度成正比.     

SrAl_2O_4∶Eu,Dy纳米材料与体材料的光电特性研究

用溶胶-凝胶自燃烧法和高温固相法分别制备了纳米和体相SrAl_2O_4:Eu,Dy长余辉磷光体.用X射线衍射对晶体结构进行了表征,用Keithley 2410对材料在有无光照条件下的电流-电压特性进行了分析,同时还测量了样品的真空紫外激发光谱.光照使材料的电流增强,说明至少有部分电子经光照后被激发到导带;纳米材料真空紫外激发光谱发生蓝移,说明纳米材料的禁带宽度要大于体材料的禁带宽度,相同电压下纳米材料的电流小于体材料的电流.     

天然FeS2(黄铁矿)的红外光谱研究

主要报道天然FeS₂黄铁矿,(以下称FeS₂(P))的室温、低温的远红外反射光谱和透射光谱,并对其光谱结构及物理起源作了较详细的讨论。通过我们的研究发现:室温反射光谱低频端等离子体反射边和样品中所含的PbS(方铅矿)杂技存在密切的联系。我们以FeS₂(P)矿物单晶和PbS矿物单晶的反射光谱作为基谱对不同样品的实验结果进行了复合,所得出的x值不仅可以反映PbS杂质的含量,而且间接地与贵金属元素Au等存在较好的正相关性。这对于研究矿物的成因等有 关键词：     

天然杂质对黄铁矿的电子结构及催化活性的影响

采用密度泛函理论和平面波赝势方法对含天然杂质黄铁矿的电子结构和光学性质进行了计算,并讨论了二十种天然杂质:钴、镍、砷、硒、碲、铜、金、银、钼、锌、铊、锡、钌、钯、铂、汞、镉、铋、铅和锑,对黄铁矿催化活性的影响.结果表明在过渡金属杂质中,杂质能级主要由它们的d轨道产生,而在主族金属及非金属杂质中,杂质能级主要由它们的s或p轨道产生.含铜、钼、砷、金、银或镍的黄铁矿对氧的还原的电催化能力增强.除锌、钼、钌、砷、锑、硒和碲外,其余杂质能增强黄铁矿表面俘获电子的能力,使光生电子和空穴复合的概率减小.光学性质计算表 关键词： 天然黄铁矿 杂质 电子结构 光学性质     

Study on oxidation of pyrite by in situ absorption spectroscopy

Pyrite is one of the common natural mineral It is easily oxidized and brings heavy metal contaminations,therefore it is the main source of acidity mine drainage.The study on the dynamics of pyrite is helpful to comprehending the mechanism of its pollution.In the present paper,an experimental method was designed that phenanthroline reacts with Fe2+that is released from pyrite in solution,and produces stable orange-red complex compound.It can be detected by absorption spectroscopy.Insitu characterization of oxidation of pyrite can be achieved by this method.The results showed that the method is reliable and accurate,and it has high sensitivity and little interference; the reaction rate of oxidation increased linearly with time,corresponding to the characterization of zero-order reaction; oxidation of pyrite belongs to the surface reaction and the process of surface reaction is rate determining step.     

Light absorption by a two-dimensional quantum dot superlattice

The monochromatic light absorption in an ideal two-dimensional quantum dot superlattice (QDSL) is considered theoretically. Calculations of the absorption coefficient are done in both the absence and presence of a homogeneous DC electric field with rational and irrational orientations. The explicit dependencies of the absorption coefficient on the frequency of the light, the QDSL parameters and the strength of the electric field are found. Some numerical results for GaAs—Ga_0.7Al_0.3As QDSL are obtained.     

水下弹性微穿孔吸声结构吸声系数研究

利用模态叠加法建立了水介质微穿孔板的数学模型,基于声电类比法得到其等效电路模型。研究了弹性微穿孔板和弹性背腔对垂直入射吸声系数的影响。与空气介质中的微穿孔板不同,水下微穿孔板因结构阻抗不足,难以取得满意的吸声效果,为此提出了增强型微穿孔吸声结构,并在水介质阻抗管内对理论结果予以验证。结果表明,随着增强型弹性微穿孔板弯曲刚度的增大,其在[20,2000]Hz范围内的平均吸声系数得到提高,逐步趋近于刚性微穿孔板的结果,弹性背板使微穿孔吸声结构的吸声峰向低频移动,低频吸声效果得到提高。     

大气气溶胶粒子光吸收系数的测量

 采用核孔过滤膜累积气溶胶粒子的方法设计了气溶胶粒子光吸收系数的测量系统。该系统由双光路组成,可以减小光路损耗和电路噪声带来的各种测量误差。同时，具有体积小、光路易于调节、可进行实时测量、定标容易等特点。用200和400nm孔径的过滤膜，分别测量了实验室内大气气溶胶粒子对不同波长激光的吸收系数。随着累积时间的增加，系统的测量精度也不断的提高，在累积时间为900s时，系统测量误差为9.849×10^-6/m。     

Calculation of the absorption coefficients of optical materials by measuring the transmissivities and refractive indices

In this paper, a formula for accurate calculation of the absorption coefficient of optical material is deduced by the relationship of its transmissivity, refractive index and absorption coefficient. Because the values of transmissivity and refractive index of the optical material with a higher accuracy can be determined by the instruments or obtained directly from the references, the calculated results of the absorption coefficients with a higher accuracy is certified. The absorption coefficients of some optical materials are calculated with it, and the results are discussed.     

Synthesis and optical characterization of nanocrystalline CdTe thin films

From several years the study of binary compounds has been intensified in order to find new materials for solar photocells. The development of thin film solar cells is an active area of research at this time. Much attention has been paid to the development of low cost, high efficiency thin film solar cells. CdTe is one of the suitable candidates for the production of thin film solar cells due to its ideal band gap, high absorption coefficient. The present work deals with thickness dependent study of CdTe thin films. Nanocrystalline CdTe bulk powder was synthesized by wet chemical route at pH≈11.2 using cadmium chloride and potassium telluride as starting materials. The product sample was characterized by transmission electron microscope, X-ray diffraction and scanning electron microscope. The structural characteristics studied by X-ray diffraction showed that the films are polycrystalline in nature. CdTe thin films with thickness 40, 60, 80 and 100 nm were prepared on glass substrates by using thermal evaporation onto glass substrate under a vacuum of 10⁻⁶ Torr. The optical constants (absorption coefficient, optical band gap, refractive index, extinction coefficient, real and imaginary part of dielectric constant) of CdTe thin films was studied as a function of photon energy in the wavelength region 400–2000 nm. Analysis of the optical absorption data shows that the rule of direct transitions predominates. It has been found that the absorption coefficient, refractive index (n) and extinction coefficient (k) decreases while the values of optical band gap increase with an increase in thickness from 40 to 100 nm, which can be explained qualitatively by a thickness dependence of the grain size through decrease in grain boundary barrier height with grain size.     

The method eliminating nearfield effect for measurement sound absorption coefficient

The numerical simulation is used in this work to study the nearfieldradiation pressure of a piston projector,the smooth effect on the pressure fieldby using a“big”receiver and the influence of the nearfield and in the transitionregion on measurement of sound absorption coefficient.The result indicatesthat the big error would appear when using usual absorption coefficientmeasurement method.According to the reason causing the error,the methodeliminating nearfield effect (MENE) is proposed and some digital results aregiven for a/λ=3,9 and b=0,0.5a,a(a and b are the transducer and re-ceiver radii respectively).The calculation results show that the method not onlywidens measurement range in nearfield,but also gives accurate results.     

Temperature evolution of the intra-ion absorption spectra of (NH2(C2H5)2)2CoCl4 crystals in the region of their phase transitions

On the basis of spectroscopic studies of (NH₂(C₂H₅)₂)₂CoCl₄ crystals, the absorption bands corresponding to the internal electronic transitions in the Co²⁺ ion were identified. The values of the crystal field and Racah parameters were calculated. The temperature evolution of the absorption spectra of (NH₂(C₂H₅)₂)₂CoCl₄ crystals reveals the anomalies of their parameters at the points of phase transitions. The corresponding changes of the absorption spectra were discussed in terms of distortion of the metal-halogen complex. The temperature dependences of the absorption spectra of (NH₂(C₂H₅)₂)₂CoCl₄ crystals confirm the presence of the thermochromic phase transitions at 255 and 330?K.     

面向微穿孔板吸声结构和吸声特性混合设计的软件平台

微穿孔板吸声结构是由微穿孔板与板后空腔组成的共振吸声结构,被认为是继多孔吸声材料之后发展起来的最有吸引力的吸声结构,其吸声特性与结构参数孔径d、板厚t、孔距b及空腔深度D有关,如何按需设计一个有效的微穿孔板吸声结构已成为目前研究的热点。本文从微穿孔板吸声结构和吸声特性混合设计的角度出发,使用面向对象的编程语言C++开发了微穿孔板吸声结构设计平台。与以往设计方法不同,本文开发的软件平台综合考虑了结构参数和吸声特性参数两方面的限制,根据实际应用要求平衡微穿孔板吸声结构的最大吸声系数与吸声带宽之间的制约关系,并以饱满的吸声曲线为目标,提供满足混合设计要求的优化结构参数。