Current trends in structural development and modification strategies for metal-organic frameworks (MOFs) towards photocatalytic H2 production: A review

Photocatalytic H₂ generation using semiconductor photocatalysts is considered as a cost-effective and eco-friendly technology for solar to energy conversion; however, the present photocatalysts have been recognized to depict low efficiency. Currently, porous coordination polymers known as metal-organic frameworks (MOFs) constituting flexible and modifiable porous structure and having excess active sites are considered to be appropriate for photocatalytic H₂ production. This review highlights current progress in structural development of MOF materials along with modification strategies for enhanced photoactivity. Initially, the review discusses the photocatalytic H₂ production mechanism with the concepts of thermodynamics and mass transfer with particular focus on MOFs. Elaboration of the structural categories of MOFs into Type I, Type II, Type III and classification of MOFs for H₂ generation into transition metal based, post-transition metal based, noble-metal based and hetero-metal based has been systematically discussed. The review also critically deliberate various modification approaches of band engineering, improvement of charge separation, efficient irradiation utilization and overall efficiency of MOFs including metal modification, heterojunction formation, Z-scheme formation, by introducing electron mediator, and dye based composites. Also, the MOF synthesized derivatives for photocatalytic H₂ generation are elaborated. Finally, future perspectives of MOFs for H₂ generation and approaches for efficiency improvement have been suggested.     

Gap modulation in MCu[Q1−xQ′x]F (M=Ba, Sr; Q, Q′=S, Se, Te) and related materials

BaCuQF (Q=S, Se, Te) materials exhibit band gaps that allow transmission of much of the visible spectrum. BaCuSF is transparent in thin-film form with a band gap of 3.1 eV. Band gap estimates for powders of the solid solution series BaCuS_1−xSe_xF were obtained from wavelength-dependent diffuse-reflectance measurements using an integrating sphere. The band gap can be tuned by the substitution of Se for S to 2.9 eV for BaCuSeF. The decrease scales almost linearly with the increase in the volume of the tetragonal unit cell, which is determined primarily by the expansion of the a lattice parameter; the overall volume increase is 7.0% from x=0 to 1. Further reduction of the band gap is observed in BaCuSe_1−xTe_xF solid solutions, where a unit cell volume increase of 5.5% produces a band gap of 2.7 eV in BaCuSe_0.5Te_0.5F. Powders and films of BaCuSF exhibit strong red luminescence under ultraviolet excitation, which is suppressed by K doping. Additional tuning of band gap and electrical properties (the materials are p-type conductors) can be achieved by replacing Ba with Sr.     

异质谷间转移电子器件的计算机模拟

使用弛豫时间近似求出了描述两能谷间电子交换的方程。在此基础上建立了双能谷电子的连续性方程和油松方程。对具体的ＧａＡｓ／ＡｌｘＧａ１－ｘＡｓ异质谷间转移电子器件结构求解了这些方程组，得到了直流工作时器件内的电场分布、双能谷中载流子的布居以及两个能谷的电流分布。这些结果正好和常规Ｇｕｎｎ器件相反，说明了两种器件的不同工作机理。最后通过对低Ａｌ组份势垒结构的计算说明了Ｘ谷电子注入对器件工作的重要作用。     

短周期超晶格AlP／GaP能带结构的转变及其带间的光跃迁

介绍了间接跃迁的半导体ＡｌＰ与ＧａＰ形成的超晶格，由于零折叠效应，实现了能带由间接带隙向直接带隙的转变，从而增加了带间的光跃迁几率，并推导了该几率的表达式。     

省煤器管开裂原因分析

对省煤器开裂管进行了化学成分及宏、微观分析。分析结果表明，在高温高压条件下，在其焊缝溶合区出现粗大的魏氏组织，管材中的珠光体组织产生了不同程度的球化，而母材组织又存在严重的带状组织。在过热条件下熔合区极易出现裂纹，并由此快速扩展，造成省煤器管开裂。     

Electrical and optical properties of fluorine-doped CdO films deposited by ultrasonic spray pyrolysis

The CdO:F samples have been deposited onto microscope glass substrates at 250 °C by ultrasonic spray pyrolysis method. With the incorporation of fluorine into CdO, the direct optical transition has shifted towards the shorter wavelengths, and the transparency of the material has increased at a given wavelength above the fundamental absorption edge. The shift in the absorption edge is explained by means of the Moss–Burstein effect, which is also supported with the results of the current–voltage characteristics. Here, a correlation has been established between the band broadening and the increase in conductivity due to the increase in carrier density.     

Chemical compositions and optical properties of HfOxNy thin films at different substrate temperatures

High-k HfO_xN_y thin films have been grown by radio frequency (rf) reactive sputtering of metal Hf target in N₂/Ar/O₂ ambient at different substrate temperatures. The chemical compositions of the films have been investigated as a function of substrate temperature by X-ray photoelectron spectroscopy (XPS). XPS measurements showed that nitrogen concentration increases with an increase in substrate temperature. Room-temperature spectroscopic ellipsometry (SE) with photon energy 0.75–6.5 eV was used to investigate the optical properties of the films. SE results demonstrated that refractive index n increases with an increase in substrate temperature. Based on TL parameters which were obtained from the best fit results used in a simulation of the measured spectra, meanwhile, we conclude that the energy band gap (E_g) decreases with an increase in substrate temperature.     

用各向异性介质构造的一维光子晶体的特性分析

本文根据单轴晶体的传输矩阵，研究了一种由各向异性介质周期排列构成的一维光子晶体，分析了在不同入射角度和折射率条件下，该周期结构的反射和偏振的光学特性。分析结果表明，各向异性介质在折射率比值较大或与高折射率同性介绍结合使用，可获得较宽的禁带，并可实现在可见光范围内的全偏振全角度反射。     

Band gaps and defect levels in functional oxides

Most ab-initio calculations of the electronic structure use the local density approximation, which gives good structural data but severely underestimates the band gaps of semiconductors and insulators. This paper presents calculations of the band structures and oxygen vacancy levels of some important oxide semiconductors and insulators, using density functional methods which do give more accurate band gaps. The materials SnO₂, Cu₂O, SrCu₂O₂, CuAlO₂, SrTiO₃, HfO₂, ZrO₂, La₂O₃, ZrSiO₄, and SiO₂ are covered.     

105K工作温度的多元长波光导碲镉汞探测器

文章报道了空间多光谱扫描仪红外波段多元光导碲镉汞探测器的研制与优值。重点研究并解决了多元器件光谱曲线不一致性的问题，简述了器件的优值波段响应率RΔλ1，波段探测率DΔλ和单色响应率Rλ的测试定标方法，以及器件按空间环境使用要求经历老炼和环境条件试验的情况。测试结果表明多元件性能稳定可靠，各项指标均达到了空间多光谱扫描仪的技术要求。