Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates

In this work, the composition-dependent point defect types and formation energies of RE₂Hf₂O₇ (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles calculations. The possible defect reactions and dominant defect complexes under stoichiometric and non-stoichiometric conditions are revealed. It is found that O Frenkel pairs are the predominant defect in stoichiometric pyrochlore hafnates. Hf-RE cation anti-site defects, accompanied by RE vacancies and/or oxygen interstitials, are stable in the non-stoichiometric case of HfO₂ excess. On the other hand, RE-Hf anti-site defects together with oxygen vacancies and/or RE interstitials are preferable in the case of RE₂O₃ excess. The energy barriers for the migration along the V_O48f - V_O48f pathway of pyrochlore hafnates were calculated to be between 0.81 eV and 0.89 eV. Based on these results, a defect engineering strategy is proposed and the pyrochlore hafnates investigated here are predicted to exhibit potential oxygen ionic conductivity.     

Fluorescent Polyimide Films Produced with Diatomite and Mesoporous Silica as Promising High-Tech Material

Journal of Inorganic and Organometallic Polymers and Materials - Due to their excellent properties, polymides (PIs) result promising as high-performance materials in different technological fields....     

Highly oriented α-Al2O3 transparent ceramics shaped by shear force

Alumina platelets were arranged horizontally in submicron alumina particles by shear force in the flow of slurries during casting. The obtained alumina green bodies with platelets were pressureless-sintered in vacuum, producing ceramics with thoroughly oriented grains and high transmittance. The effects of sintering parameters on the densification, microstructure evolution, and orientation degree of alumina ceramics were investigated and discussed. The results showed that the densification, grain size, orientation degree, and in-line transmittance were increased with increasing sintering temperature. The enhancement of orientation degree was mainly coherent with grain growth. The grain-oriented samples exhibited a much higher in-line transmittance (at 600 nm) of 61 % than that of the grain random sample (29 %). Moreover, the transmission remained a high level in the ultraviolet range (<300 nm).     

Configurational Isomers Induced Significant Difference in All-Polymer Solar Cells

The design of polymer acceptors plays an essential role in the performance of all-polymer solar cells. Recently, the strategy of polymerized small molecules has achieved great success, but most polymers are synthesized from the mixed monomers, which seriously affects batch-to-batch reproducibility. Here, a method to separate γ-Br-IC or δ-Br-IC in gram scale and apply the strategy of monomer configurational control in which two isomeric polymeric acceptors (PBTIC-γ-2F2T and PBTIC-δ-2F2T) are produced is reported. As a comparison, PBTIC-m-2F2T from the mixed monomers is also synthesized. The γ-position based polymer (PBTIC-γ-2F2T) shows good solubility and achieves the best power conversion efficiency of 14.34% with a high open-circuit voltage of 0.95 V when blended with PM6, which is among the highest values recorded to date, while the δ-position based isomer (PBTIC-δ-2F2T) is insoluble and cannot be processed after parallel polymerization. The mixed-isomers based polymer, PBTIC-m-2F2T, shows better processing capability but has a low efficiency of 3.26%. Further investigation shows that precise control of configuration helps to improve the regularity of the polymer chain and reduce the π–π stacking distance. These results demonstrate that the configurational control affords a promising strategy to achieve high-performance polymer acceptors.     

氢能发展趋势分析及对石化企业的建议

近年来,随着全球气候变暖和对能源安全方面的考量,氢能产业在全球范围内升温,美国、日本、欧盟等发达国家及地区相继制定了氢能发展战略及规划,日本在全球氢能产业发展中表现突出,国家政策导向明确,氢能产业已成体系.我国已将氢能开发利用作为能源技术发展的重要战略方向,将"推动充电、加氢等设施建设"首次写入2019年《政府工作报告》,石化企业在国家及各级地方政府政策和规划的激励下,积极开展氢能开发利用研究.能源转型是一个漫长的过程,氢能在制取、储存运输以及利用方面还存在碳排放、安全、成本等技术障碍.建议石化企业要保持环保初心、利用自身优势,绿色开展化石能源制氢及利用.     

A new strategy to reduce edge chipping using stress wave impedance matching

To restrain edge chipping and elucidate its mechanism during machining, the initiation of edge chipping was investigated in this study from the propagation properties of stress waves in the fractured media. Three technological principles of the support for chipping suppression were proposed to reduce the intensity of reflected extension waves, namely, the wave impedance matching, the smaller residual gap and the higher viscosity of the gap filler between the workpiece and the support. As demonstrated from the experimental results, using brass support with non-solid epoxy gap filler can significantly restrain the edge chipping of pressureless sintered silicon carbide during grinding.     

Studies on waterline corrosion processes and corrosion product characteristics of carbon steel in 3.5 wt% NaCl solution

The waterline corrosion behaviors of carbon steel partially immersed in a 3.5 wt% NaCl solution were investigated using the wire beam electrode technique, and the effects of corrosion products on the processes of waterline corrosion were analyzed. The results demonstrated that the initial stage and development stage of waterline corrosion were mainly controlled by the concentration and diffusion of dissolved oxygen, respectively, and the deceleration stage of waterline corrosion was mainly affected by corrosion products. The main component of the yellow corrosion products was γ-FeOOH, and γ-FeOOH that exhibited a high reduction reactivity could be involved in the cathodic reaction. The black corrosion products were mainly composed of Fe₃O₄ with strong thermodynamic stability and the processes of dissolved oxygen diffusion and ion transports were obviously affected due to the continuous accumulation of Fe₃O₄ on the surface of the electrodes. Polarity reversals were observed on the single electrodes below the waterline, but the reasons for the phenomena were different from each other.     

堆本体抗震试验动力相似关系推导与验证

为确保堆本体抗震试验中流体对流效应、脉冲效应和堆本体结构响应的准确性，需保证重力、流体与固体惯性力、结构弹性力和结构应变的相似性。本文从固体结构的振动方程、不可压牛顿流体的动力学方程、流固交界面的边界条件和环形柱体域内液体线性晃动的动力学公式出发，基于控制方程的量纲分析法，推导了考虑液体晃动效应的堆本体地震响应动力相似关系。基于上述相似关系建立了堆容器堆内构件和堆容器内自由液面流体域的缩尺模型，通过有限体积法分析堆容器堆内构件原型和缩尺模型中液体的晃动固有频率、晃动波高、压力以及液体晃动对堆容器支承裙的倾覆力矩。结果表明本文动力相似关系具有合理性和准确性，可用于堆本体缩尺模型的抗震试验研究。     

Photoregulation of Gene Expression with Ligand-Modified Caged siRNAs through Host/Guest Interaction

Small interfering RNA (siRNA) can effectively silence target genes through Argonate 2 (Ago2)-induced RNA interference (RNAi). It is very important to control siRNA activity in both spatial and temporal modes. Among different masking strategies, photocaging can be used to regulate gene expression through light irradiation with spatiotemporal and dose-dependent resolution. Many different caging strategies and caging groups have been reported for light-activated siRNA gene silencing. Herein, we describe a novel caging strategy that increases the blocking effect of RISC complex formation/process through host/guest (including ligand/receptor) interactions, thereby enhancing the inhibition of caged siRNA activity until light activation. This strategy can be used as a general approach to design caged siRNAs for the photomodulation of gene silencing of exogenous and endogenous genes.     

近源成藏——来自鄂尔多斯盆地延长组湖盆东部“边缘”延长组6段原油的地球化学证据

延安以东和以北的鄂尔多斯盆地东北部地区曾被认为位处三叠纪延长组7段（长7段）沉积期古湖盆的"边缘"，一些学者认为该区延长组烃源岩不发育，因而其油藏原油系湖盆中心生成的原油经长距离侧向运移而来；但也有研究认为，包括盆地边缘在内的整个鄂尔多斯盆地致密油藏均为近源成藏。为明确盆地东部地区延长组原油来源，对三叠纪湖盆"东缘"七里村油田的主力油层延长组6段（长6段）原油开展了原油地球化学和油源对比研究。七里村油田长6段原油具有高饱和烃、高饱芳比、低非烃和低沥青质的特征，正构烷烃呈前高单峰型，主峰碳为C₁₉，生物标志化合物分析显示长6段原油为同源成熟原油，生油母质以藻类等低等水生生物为主，混有陆源高等植物，母源沉积环境为偏还原性的淡水湖泊。七里村油田长6段原油与本地区长7段黑色泥页岩和暗色泥岩2种烃源岩均具有明显亲缘关系，而与志丹、富县等湖盆中心地区的长7段烃源岩在族组成、生物标志化合物和稳定碳同位素特征上均存在明显区别。综合分析认为七里村油田长6段原油并非湖盆中心长7段优质烃源岩所生油气经长距离运移而来，而主要为原位长7段烃源岩生成的原油经垂向运移和短距离侧向运移在长6段等储层中聚集成藏，属于近源成藏。