Stability and optoelectronic property of lead-free halide double perovskite Cs2B'BiI6 (B' = Li,Na and K)

Although lead-based perovskite solar cells have achieved more than 25% power conversion efficiency, the toxicity of lead and instability are still urgent problems faced in industrial application. Lead-free halide double perovskite (DP) materials are promising candidates to resolve these issues. Based on the density functional theory, we explore the geometric stability, thermodynamic stability, mechanical stability, electronic structures, and optical properties of the Cs₂B'BiI₆ (B' =m Li, Na and K) DP materials. By analyzing the tolerance factor and octahedral factor, we find the geometric stabilities of Cs₂NaBiI₆ and Cs₂KBiI₆ DPs are better than Cs₂LiBiI₆. By calculating the total energy, formation energy and decomposition energy, we propose that the most favorable structure of Cs₂B'BiI₆ is the orthorhombic phase, and Cs₂LiBiI₆ is less stable relative to the other two counterparts from an energetic viewpoint. Mechanical stability evaluations reveal that the orthorhombic Cs₂LiBiI₆ material is less stable relative to the isostructural Cs₂NaBiI₆ and Cs₂KBiI₆ DPs. The mechanical property calculations indicate that the Cs₂B'BiI₆ DPs possess good ductility, which can be used as flexible materials. Electronic structures and optical property calculations show that the orthorhombic Cs₂B'BiI₆ DPs have suitable band gap values, weaker exciton binding energies, and excellent optical absorption performance in the visible-light range. Based on the above comprehensive assessments, we can conclude that the orthorhombic Cs₂NaBiI₆ and Cs₂KBiI₆ DPs with good stability are promising candidates for solar cell applications.     

Structural,elastic, electronic,optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr,Ba)

First-principles calculations were performed to investigate the structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae₃AlAs₃ (Ae = Sr, Ba) using two complementary approaches based on density functional theory. The pseudopotential plane-wave method was used to explore the structural and elastic properties whereas the full-potential linearised augmented plane wave approach was used to study the structural, electronic, optical and thermoelectric properties. The calculated structural parameters are in good consistency with the corresponding measured ones. The single-crystal and polycrystalline elastic constants and related properties were examined in details. The electronic properties, including energy band dispersions, density of states and charge-carrier effective masses, were computed using Tran-Blaha modified Becke-Johnson functional for the exchange-correlation potential. It is found that both studied compounds are direct band gap semiconductors. Frequency-dependence of the linear optical functions were predicted for a wide photon energy range up to 15 eV. Charge carrier concentration and temperature dependences of the basic parameters of the thermoelectric properties were explored using the semi-classical Boltzmann transport model. Our calculations unveil that the studied compounds are characterised by a high thermopower for both carriers, especially the p-type conduction is more favourable.     

拉曼光谱原位表征在有机光电器件中的应用

拉曼原位表征(Raman in situ characterization)就是在不破坏样品的情况下利用拉曼光谱实时监测变化过程,以表征样品在真实环境下的结构性能变化或记录样品在整个过程中的实时信息。在器件的工作时,原位检测化学结构、物理结构的变化,有利于深入了解器件微观结构与光电性能间的关系,帮助我们优化器件结构,提高器件性能。本文主要针对有机光电器件,总结原位观察生长、老化、带电状态的特点和规律,探讨了原位拉曼光谱在有机光电器件原位表征中的应用和发展潜力。     

Vacancy filling effect of graphene on photoluminescence behavior of ZnO/graphene nanocomposite

We report on the aerosol synthesis and optical characterization of ZnO/unoxidized graphene (UG) platelets nanocomposite films with high optical transparency (>85% at visible wavelengths). The ZnO/UG composite films, in which UG nanoplatelets are embedded in nano‐grained ZnO, were fabricated from colloidal suspensions of UG platelets with an aqueous zinc precursor. From photoluminescence (PL) spectra of the UG composite films, it was found that PL intensity decreases with the addition of UG platelets. The features of PL intensity in the UG composites are in contrast to that of ZnO/graphene oxide (G‐O) platelets composites, and can be explained by the absence of an oxygen vacancy filling effect, due to the unoxidized nature of UG and an increase in defect sites in its composites. (© 2014 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

基于最小可分辨对比度的CCD成像系统最佳角放大率研究

光电成像系统存在一个最佳角放大率,使人眼与成像系统达到最佳匹配状态,系统获得最佳性能.基于MRC物理意义,提出MRC信道宽度CCD成像系统综合性能评价方法,通过实际CCD成像系统的观察实验确定了评价模型的表达式,分析了各种系统参数变化对该方法的影响.结果表明,利用MRC信道宽度评价方法描述的最佳角放大率变化与实际情况一致.在最佳角放大率情况下,系统与人眼视觉得到最佳匹配.     

国外地基光电系统空间目标探测的进展

简要介绍了国外先进地基空间监视系统的发展现状,从地基光电系统观测空间目标的角度描述了星火光学靶场35 m口径望远镜系统及367 m口径高级光电(AEOS)望远镜系统,给出了这两种望远镜系统的工作性能和所开展的工作。通过对这两套系统的设计理念和先进单元技术的研究,对构造“用于卫星成像的地基光电系统”的相关技术进行了初步探讨;针对目前提出的“对卫星成像的大口径地基光电观测设备”的总体研制方案,提出了建造应用自适应光学技术的18 m地平式望远镜的观点,提出该系统应设计为一个功能可扩展的光学平台。     

实现受激光发射探索Si基激光器

本文首先评论了近5年来各类Si基纳米材料在光增益和受激光发射特性研究方面所取得的最新进展.进而指出,晶粒有序的小尺寸和高密度纳米晶Si(nc-Si),具有载流子三维量子受限的局域化纳米结构和具有高激活浓度Er掺杂的nc-Si:Er/SiO2纳米薄膜,将是实现Si基激光器的主要有源区材料.最后,对这一领域的今后发展趋势进行了初步展望.预计在今后的3～5年内,实现Si基激光器的探索性研究高潮即将到来,并极有可能获得重大突破性进展,即在进一步提高发光效率的基础上,实现稳定可靠的光增益和受激光发射特性.而后再用3～5年的时间,通过优化结构形式与工艺技术,研制出具有器件实用化水平的Si基激光器.     

直线度误差的光电非接触测量方法

基于光电检测技术,利用回转和轴向进给伺服系统,通过激光扫描检测系统测量刀口尺与被测零件素线之间的间隙,实现了对直线度误差的非接触自动测量。详细论述了直线度误差的测量方法和光电检测系统,通过实验对系统的测量精度进行了验证。     

基于择优掺杂取向研究Y掺杂量对ZnTe电子结构和吸收光谱的影响

Zn Te由于其特有的禁带宽度,光学性质以及可重掺杂等特性,使得众多学者对其进行了系列的相关研究,但关于Y掺杂浓度和掺杂方式对Zn Te性质的影响却鲜有报道.作者采用密度泛函理论框架下的广义梯度近似方法,分别计算了Y在掺杂浓度为1.56at%、3.12at%、4.69at%下Zn Te的几何结构、能带结构、态密度分布、吸收光谱等性质,以及不同掺杂方式对体系的影响.结果表明:在掺杂浓度为3.12at%,掺杂方式不相同时,掺杂原子沿[111]晶向排布的形成能最低,即[111]晶向为择优晶向.当掺杂浓度为4.69at%时,择优晶面为(111)面.若要实现更高浓度的Y掺杂,沿(111)晶面掺杂更容易实现.对于实验而言,更高浓度的Y掺杂,掺杂原子在Zn Te体系中更容易沿(111)晶面进行集中排列. Y掺杂Zn Te后,体系的禁带宽度变大,吸收光谱发生蓝移,对可见光的吸收强度减小.在浓度为3.12at%时禁带宽度最大,蓝移现象最明显,吸收强度最小. Y掺杂后体系变为n型半导体,可以使用这种掺杂方式制作P-N结二极管．