Journey from Small-Molecule Diyne Structures to 2D Graphdiyne: Synthetic Strategies

Graphdiyne (GDY) exhibits unique characteristics of a highly conjugated π system, evenly distributed nanopores, and a direct band gap. This has encouraged multidisciplinary research groups to investigate its application in energy conversion and storage, catalysts, electronic devices, sensing, and separation. Herein, the achievements of synthetic strategies for preparing small-molecule diyne structures (GDY substructure), 1D nanoribbons, and 2D GDY are presented. These studies may help future investigations into the basic structure-related properties of GDY and synthetic methodology for the future developments of GDY-related 2D carbon materials.     

Pitch-Based Laminated Carbon Formed by Pressure Driving at Low Temperature as High-Capacity Anodes for Lithium Energy Storage Systems

Pitch has been used to prepare electrodes by high-temperature heat treatments for supercapacitors, lithium-ion batteries, on account of its rich aromatic ring structure. Here, the toluene-soluble component of pitch is used to prepare a kind of laminated carbon. This was realized by a template-free synthesis at low temperature with the addition of pressure. The toluene-soluble component has a small molecular weight, which makes the thermal deformation ability stronger and then enhances the orientation of the carbon layer with the help of pressure. The prepared anode exhibits a splendid electrochemical performance compared with the traditional graphite anode. A high stable capacity of approximately 550 mAh g⁻¹ at 50 mA g⁻¹, which is much higher than graphite (372 mAh g⁻¹), is obtained. Also, when the current density is up to 2 A g⁻¹, the capacity is about 150 mAh g⁻¹. Surprisingly, it also delivers a superior cycling performance. And when used as the anode/cathode electrode for lithium-ion capacitors, a high energy density can be obtained. The present work offers an opportunity to utilize the pitch source in lithium energy storage with promising cycle life, high energy/power density, and low cost.     

Synthesis and biological evaluation of novel bis-quaternary ammonium compounds with p-terphenyl spacer

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螺旋管聚能药包根底光面爆破机理研究及应用

针对现阶段光面爆破存在的根底不平整问题以及炸药能量利用率低的问题，提出了一种螺旋管聚能药包。为探究药包的破岩机理，采用LS-DYNA数值模拟和钻孔爆破试验相结合的方法研究了此药包的破岩机理。数值模拟结果表明，螺旋管聚能药包能形成连续金属射流侵彻炮孔孔壁，孔壁被侵彻出垂直炮孔方向的裂缝。用普通柱状药包和此药包进行钻孔爆破对比试验，结果表明，螺旋管药包试样的残留炮孔孔壁有螺旋形侵彻缝，印证了数值模拟的侵彻结果。并且相比于普通柱状药包，其炮孔利用率提高7.2%、扩孔率提高8.4%。将此药包应用于舟山绿色石化基地围垦区，结果表明，螺旋管药包爆破区域根底高度平均比普通装药低14 cm，根底高度标准差比普通装药小12 cm。研究成果在爆破工程应用中有很大价值，可以降低施工成本、加快施工进度、提高爆破效果，适合在矿山开采、井巷掘进等工程中使用。     

具有恒定冲击载荷的梯度泡沫金属材料设计

多胞材料可通过大变形大量地吸收冲击能量，引入密度梯度可进一步提高其耐撞性。梯度多胞材料的宏观力学响应对材料密度分布极为敏感，不同类型的细观构型的影响也极为不同。已有的研究工作主要局限在对给定的密度梯度分析其动态响应，较少对耐撞性设计方法进行研究。本文针对梯度闭孔泡沫金属材料，基于非线性塑性冲击波模型发展了耐撞性反向设计方法，以维持冲击物受载恒定为目标，运用级数法获得了简化模型和渐近解。利用变胞元尺寸法构建了连续梯度变化的三维Voronoi细观有限元模型，并利用ABAQUS/Explicit有限元软件对理论设计进行数值验证。结果表明，反向设计理论简化模型的渐近解对于梯度闭孔泡沫金属材料的耐撞性设计是有效的，所提出的耐撞性设计方法在控制冲击吸能过程和冲击物受载方面具有指导意义。     

Self-supported metal sulphide nanocrystals-assembled nanosheets on carbon paper as efficient counter electrodes for quantum-dot-sensitized solar cells

Developing efficient counter electrodes (CEs) and quantum dots made of earth-abundant and non-toxic elements is essential but still challenging for quantum dot-sensitized solar cells (QDSSCs). Here, we report a facile strategy to prepare self-supported and robust CoS₂ and NiS nanocrystals-assembled nanosheets directly grown on carbon paper (MSx NS@CP) as efficient counter electrodes for QDSSCs. Such CEs integrate the merits of fast electron transfer from interconnected conductive scaffold, efficient mass transfer from hierarchically vertical nanosheet on 3D open substrate, as well as abundant highly active catalytic sites from metal sulphide nanocrystal units. As a result, QDDSCs based on such CoS₂ NS@CP and NiS NS@CP CEs achieve a PCE of 8.88% and 7.53%, respectively. The detailed analyses suggest that CoS₂ NS@CP has the highest catalytic activity and shows the lowest charger transfer resistance, leading to the highest PCE. These findings may inspire the design and exploration of other self-supported efficient CEs by integrating highly active catalysts onto 3D conductive networks for efficient QDSSCs.     

Side-on-End-on Coordination of Dinitrogen on a Polynuclear Vanadium Nitride Cluster Anion [V5N5]−

The side-on-end-on coordination of N₂ can be very important to activate and functionalize this very stable molecule. However, such coordination has rarely been reported. This study reports a gas-phase species (a polynuclear vanadium nitride cluster anion [V₅N₅]⁻) that can capture N₂ efficiently (12 %), and the quantum chemistry modelling suggests an unusual side-on-end-on coordination. The cluster anions were generated by laser ablation and the reaction with N₂ has been characterized by mass spectrometry, photoelectron imaging spectroscopy, and density functional theory calculations. The back-donation interactions between the localized d–d bonding orbitals on the low-coordinated dual metal (V) sites and the antibonding π* orbitals of N₂ are the driving forces to adsorb N₂ with a high binding energy (about 2.0 eV).     

单色仪波长定标中狭缝设置的影响分析

单色仪作为一种分光仪器，在传感器的辐射定标等方面具有重要应用。在实际应用过程中，其波长和带宽的设置对传感器的精确定标具有重要影响。使用低压汞灯作为波长标准光源，通过对其特征谱线扫描的方法，研究了传感器定标过程中，设置单色仪不同的狭缝宽度，对传感器精确定标具有重要影响。结果显示，当出射入射狭缝相同，同时改变其宽度的情况下，与典型校准状态(出射入射狭缝宽度设置为0.5 mm)相比，波长偏差量达到0.17 nm；当入射狭缝与出射狭缝不一致时，与典型校准状态相比，波长偏差量达到0.18 nm；当光源未充满入射狭缝与充满入射狭缝相比，最大误差达到0.02 nm，该影响几乎可以忽略。在相关的传感器光谱辐射定标实验研究中，单色仪的定标精度和准确性评估等方面具有重要应用。     

Symplectic integrators with adaptive time step applied to runaway electron dynamics

Numerical Algorithms - Studying the dynamics of runaway electrons has theoretical and practical significance. As the system is highly relativistic, multi-scale and nonlinear, accurate and efficient...