Theoretical Prediction of Chiral 3D Hybrid Organic–Inorganic Perovskites

Hybrid organic–inorganic perovskites (HOIPs), in particular 3D HOIPs, have demonstrated remarkable properties, including ultralong charge‐carrier diffusion lengths, high dielectric constants, low trap densities, tunable absorption and emission wavelengths, strong spin–orbit coupling, and large Rashba splitting. These superior properties have generated intensive research interest in HOIPs for high‐performance optoelectronics and spintronics. Here, 3D hybrid organic–inorganic perovskites that implant chirality through introducing the chiral methylammonium cation are demonstrated. Based on structural optimization, phonon spectra, formation energy, and ab initio molecular dynamics simulations, it is found that the chirality of the chiral cations can be successfully transferred to the framework of 3D HOIPs, and the resulting 3D chiral HOIPs are both kinetically and thermodynamically stable. Combining chirality with the impressive optical, electrical, and spintronic properties of 3D perovskites, 3D chiral perovskites is of great interest in the fields of piezoelectricity, pyroelectricity, ferroelectricity, topological quantum engineering, circularly polarized optoelectronics, and spintronics.     

Ni,Cr, and Fe surfaces corroded by molten ZnCl2

Understanding the corrosion of molten ZnCl₂ on metal surfaces is significant for the corrosion protection of metals, sustainable use of molten salts, preparation of ZnO coatings, and so on. In this paper, surfaces of pure Ni, Cr, and Fe corroded by molten ZnCl₂ were investigated. The results show that Ni suffered very slight corrosion, while Cr experienced more serious corrosion than Ni, but lighter corrosion than Fe. The morphology of the corrosion of Cr and Fe, respectively, presented pitting and intergranular corrosion characteristics. Furthermore, nanostructured ZnO coatings were obtained on the surfaces of Ni and Fe, but not on the surface of Cr. The ZnO coating on the Ni surface was doped with a small amount of Zn₅(OH)₈Cl₂, and the ZnO coating on the Fe surface was doped with ZnFe₂O₄ and Zn₂OCl₂. The coatings on the Ni and Fe surfaces had an average thickness of 1.5 and 50 μm, respectively.     

基于Q-learning的不确定环境BDI Agent最优策略规划研究

BDI模型能够很好地解决在特定环境下的Agent的推理和决策问题,但在动态和不确定环境下缺少决策和学习的能力。强化学习解决了Agent在未知环境下的决策问题,却缺少BDI模型中的规则描述和逻辑推理。针对BDI在未知和动态环境下的策略规划问题,提出基于强化学习Q-learning算法来实现BDI Agent学习和规划的方法,并针对BDI的实现模型ASL的决策机制做出了改进,最后在ASL的仿真平台Jason上建立了迷宫的仿真,仿真实验表明,在加入Q-learning学习机制后的新的ASL系统中,Agent在不确定环境下依然可以完成任务。     

Comparative studies on thermal and toughness properties of polybenzoxazine composites with two functionalized graphene oxides

Abstract

Graphene oxide (GO) was functionalized by polyether amine (PEA) via two methods which were one-pot modification in acetone (GON) and two steps with the intermediate product of GOCO-Cl generated (GONS). There were more PEA successfully grafted onto GO for GONS than GON. The onset polymerization temperatures of the benzoxazine (Bz) composites decreased by the inclusion of 1?wt% of GO, GON or GONS. Thermal stability of the polybenzoxazine (PBz) composites was significantly improved indicated from the increase of weight loss temperature. T₁₀, T₂₀ and T₅₀ values of the composites with GONS were higher than that of the others. Toughness of PBzs may be enhanced by the incorporation of nanofillers, and GONS had stronger interfacial interaction with PBz matrix than GON.     

Facile construction of composition-tuned ruthenium-nickel nanoparticles on g-C3N4 for enhanced hydrolysis of ammonia borane without base additives

Developing high-efficiency and low-cost catalysts for hydrogen evolution from hydrolysis of ammonia borane (AB) is significant and critical for the exploitation and utilization of hydrogen energy. Herein, the in-situ fabrication of well-dispersed and small bimetallic RuNi alloy nanoparticles (NPs) with tuned compositions and concomitant hydrolysis of AB are successfully achieved by using graphitic carbon nitride (g-C₃N₄) as a NP support without additional stabilizing ligands. The optimized Ru₁Ni_7.5/g-C₃N₄ catalyst exhibits an excellent catalytic activity with a high turnover frequency of 901 min^?1 and an activation energy of 28.46 kJ mol^?1 without any base additives, overtaking the activities of many previously reported catalysts for AB hydrolysis. The kinetic studies indicate that the AB hydrolysis over Ru₁Ni_7.5/g-C₃N₄ is first-order and zero-order reactions with respect to the catalyst and AB concentrations, respectively. Ru₁Ni_7.5/g-C₃N₄ has a good recyclability with 46% of the initial catalytic activity retained even after five runs. The high performance of Ru₁Ni_7.5/g-C₃N₄ should be assigned to the small-sized alloy NPs with abundant accessible active sites and the synergistic effect between the composition-tuned Ru–Ni bimetals. This work highlights a potentially powerful and simple strategy for preparing highly active bimetallic alloy catalysts for AB hydrolysis to generate hydrogen.     

Growth Defects in Langasite Crystals Observed with White Beam Synchrotron Radiation Topography

Langasite single crystal was grown by the Czochralski method and its perfection was assessed by white beam synchrotron radiation topography. It is found that the growth core and the growth striations are the primary growth defects and they show strong X-ray kinematical contrast in the topographs. Another typical defect in LGS crystal is dislocation. The formation mechanisms of these growth defects in LGS crystals were discussed.     

人工颅骨用复合材料中微量甲基丙烯酸甲酯的气相色谱法测定

采用氢气焰离子化检测器(FID),以正丁醇为外标物,PEG-20M为固定相,甲醇作为溶剂,气相色谱法测定复合材料人工颅骨中微量MMA的含量。其相对标准偏差<0.022,平均回收率(n=4)为98.0％～99.1％。此方法操作简便,用于实际样品分析可得到满意的结果。     

Zk线性码的对称形式的MacWilliams恒等式

该文定义了Zk线性码的码字的对称重量计数公式，利用离散的Hadamard变换，建立了线性码与其对偶码之间的对称形式的MacWilliams恒等式．     

CO2激光治疗皮肤基底细胞癌14例临床观察

目的 :探求一种简单 ,安全 ,效果好的基底细胞癌的治疗方法。方法 :对 1 4例基底细胞癌患者在局麻下用CO2 激光行基底细胞癌切除术或切除 +气化术。结果 :患者术中、术后出血少 ,伤口恢复快 ,愈合良好 ,疤痕表浅 ,随访未见复发。结论 :CO2 激光用于治疗基底细胞癌效果良好 ,无明显副作用 ,操作简单值得推广。