Atomistic insight into the hydration and proton conducting mechanisms of the cobalt doped Ruddlesden-Popper structure Sr3Fe2O7-δ

Sr₃Fe₂O_7-δ (SFO) with two-layer Ruddlesden-Popper (R–P) structure has recently been proved to be a promising material for the single phase cathode in proton conducting solid oxide fuel cells (P–SOFCs). To investigate the hydration reactions and proton conducting mechanisms of SFO and cobalt doped SFO (SFCO), both bulk and surface properties were calculated. We conclude that R–P structures have advantages in P–SOFCs. The unique Sr–O–M layer can facilitate the hydration process. Although in Sr–O–F and Sr–O–N layers, it is difficult for the formation and migration of oxygen vacancies, protons are most stable. Furthermore, cobalt doping can not only improve the electronic conductivity but also enhance surface properties of SFCO. The easily exposed Co–Fe–O surface can also facilitate the hydration reactions on the surface. Our work could give an informative insight into the relationships among the doped elements, the R–P structures, the hydration process and the proton conducting properties.     

无源光网络标准发展及关键技术研究

无源光网络(Passive Optical Network,PON)作为当今接入网的主要技术解决方案,具有带宽使用效率高、传输距离远、抗干扰能力强等特点.通过研究PON技术的发展动态,本文首先归纳了各种PON技术的产生背景和应用特点,整理出各技术间的连接关系及主要标准;其次介绍了PON技术的帧结构,并对带宽、波长、传输模式等PON技术的主要参数进行了汇总;然后将国内外研究热点进行划分,围绕媒体访问控制协议、帧结构、动态带宽分配算法、节能机制等关键技术,阐述了其研究现状及在PON中的重要作用;最后对PON技术的发展趋势进行了展望.     

How to accelerate green technology diffusion? Directed technological change in the presence of coevolving absorptive capacity

The time window for effective climate change mitigation is closing. Technological change needs to be accelerated to limit global warming to a manageable level. Path dependence of technological change is one explanation for sluggish diffusion of green technologies. Firms acquire capital that differs by technology type and build up type-specific technological know-how needed to use capital efficiently. Path dependence emerges from cumulative knowledge stocks manifested in the productivity of supplied capital and firms’ capabilities. Increasing returns arise from induced innovation feedbacks and learning by doing. Relatively lower endowments with technological knowledge are a barrier to diffusion for new technologies. This paper shows how the evolution of relative stocks of technological knowledge explains different shapes of diffusion curves. Using an eco-technology extension of the macroeconomic agent-based model Eurace@unibi, it is shown how the effectiveness of different climate policies depends on the type and strength of diffusion barriers. Environmental taxes can outweigh lower productivity and subsidies perform better if lacking capabilities hinder firms to adopt a sufficiently mature technology.     

Sequence-Dependent Nanofiber Structures of Phenylalanine and Isoleucine Tripeptides

The molecular design of short peptides to achieve a tailor-made functional architecture has attracted attention during the past decade but remains challenging as a result of insufficient understanding of the relationship between peptide sequence and assembled supramolecular structures. We report a hybrid-resolution model to computationally explore the sequence–structure relationship of self-assembly for tripeptides containing only phenylalanine and isoleucine. We found that all these tripeptides have a tendency to assemble into nanofibers composed of laterally associated filaments. Molecular arrangements within the assemblies are diverse and vary depending on the sequences. This structural diversity originates from (1) distinct conformations of peptide building blocks that lead to different surface geometries of the filaments and (2) unique sidechain arrangements at the filament interfaces for each sequence. Many conformations are available for tripeptides in solution, but only an extended β-strand and another resembling a right-handed turn are observed in assemblies. It was found that the sequence dependence of these conformations and the packing of resulting filaments are determined by multiple competing noncovalent forces, with hydrophobic interactions involving Phe being particularly important. The sequence pattern for each type of assembly conformation and packing has been identified. These results highlight the importance of the interplay between conformation, molecular packing, and sequences for determining detailed nanostructures of peptides and provide a detailed insight to support a more precise design of peptide-based nanomaterials.     

金属配合物与核酸作用机理的理论计算

通过计算机模拟金属配合物与核酸作用机理,对其理论模型能量计算和结构优化。在不同的化学环境条件下得到不同的实验模拟结果,对真实的化学反应过程有重要的指导意义和参考意义。通过Gaussian03,Gauss View等软件的结合应用,分别应用于优化计算和理论建模,熟悉了对化学软件操作应用。     

采油树平板闸阀柔性密封圈结构优化设计

为了提高采油树平板闸阀密封圈的密封性能,在泛塞封的基础上,设计一种密封圈本体唇边开有锯齿状凸起的新型柔性密封结构;运用有限元分析方法模拟密封圈的工作状况,分析柔性密封结构特性参数对密封圈密封性能的影响,获得不同柔性密封圈结构参数下密封面间接触应力分布规律,并对新型密封结构进行优化。结果表明:密封面间最大接触应力随唇边锯齿数量、唇边夹角度数的增大而增大,随唇谷夹角度数的增大而减小;新型密封结构选择锯齿数量为3、唇边夹角为20°、唇谷夹角为30°的特性参数时,其最大接触应力比常规Y形密封圈提高了15倍;新型柔性密封结构的密封圈与阀杆、阀盖壁面间接触应力比常规Y形密封圈有显著提高,提高了密封圈的密封性能。     

The origin of the modulated structure in Sr2CuO3+δ (δ = 0.4): [CuO2] in-plane oxygen vacancy or apical oxygen vacancy?

We propose the question of the modulated structures of copper oxide is caused by the [CuO₂] in-plane oxygen vacancy or apical oxygen vacancy. Sr₂CuO_3+δ single-crystal samples were prepared using high-temperature and high-pressure methods. The major phase of Sr₂CuO_3+δ (δ = 0.4) single-crystal system is found to be constituted by the 5 a modulated structure with the Fmmm space group, which originates from the [CuO₂] in-plane oxygen vacancy appearing in octahedral Cu-O. Besides, the presence of the [CuO₂] in-plane oxygen vacancy may obliterate the superconductivity of the system. Experimental results deduce that the oxygen vacancy may appear in the apical oxygen sites in high-temperature copper oxide superconductors.     

Influences of magnetic fields on current–voltage characteristics of gold-DNA-gold structure with variable gaps

Achieving highly sensitive magnetic sensors by means of Metal-DNA-Metal (MDM) structure is a key issue. DNA, being a genetic information carrier in living cells reveals tunable semiconducting response in the presence of external electric and magnetic fields, which is promising for molecular electronics. The influence of magnetic fields up to 1200 mT on the current–voltage (I–V) behavior of Gold-DNA-Gold (GDG) structure having variable gap sizes from 20–50 μm are reported in this work. These structures were fabricated using UV lithography, DC magnetron sputtering and thermal evaporation techniques. DNA strands were extracted from Boesenbergia rotunda plant via standard protocol. The acquired I–V characteristics display the semiconducting diode nature of DNA in GDG structures. The potential barrier for all the structures exhibit an increasing trend with the increase of externally imposed magnetic field irrespective of variable gap sizes. Furthermore, the potential barrier in GDG junction at higher magnetic field strengths (>1000 mT) is found to be considerably enhanced. This enhancement in the junction barrier height at elevated magnetic fields is attributed to the reduction of carrier mobility and augmentation of resistance. The achieved admirable features of magnetic sensitivity suggest the viability of using these GDG sandwiches as a prospective magnetic sensor.     

Development of structurally modified OER catalysts with enhanced performance and longevity for PEM-based electrolytic air dehumidification

PEM-based electrolytic air dehumidification is innovative in dehumidification that requires high precision and small space due to its high efficiency, compactness, and cleanness. However, the system dehumidification performance and durability are limited by using commercial Anatase-IrO₂ catalysts. In this study, two types of structurally modified OER catalyst materials, ATO-IrO₂ and ND-MnO₂-IrO₂, are developed to improve the performance of the system. System experiments showed that, compared to the commercial catalysts, the use of ATO-IrO₂ and ND-MnO₂-IrO₂ as the anode catalyst can improve the dehumidification performance by 45% and 20%, respectively. Furthermore, in 50-h accelerated aging tests, the attenuation rates of the ATO-IrO₂ and ND-MnO₂-IrO₂ systems are 3% and 8% respectively, which are far lower than the 35% attenuation of commercial catalyst. The results indicate that, as catalysts with a classic core-shell structure, ATO-IrO₂ and ND-MnO₂-IrO₂ still have a significant impact on improving the performance of the electrolytic dehumidification systems.