层间共价增强石墨烯材料的构筑、性能与应用

大批量石墨烯可控制备技术的逐渐成熟为实现其宏观组装和应用提供了基础。在众多的组装策略中,调节石墨烯层间的界面相互作用可以直接影响组装体的力学、电学、热学以及渗透等性质,具有重要的意义。石墨烯片层间以共价键连接的层间共价石墨烯材料以其可调的层间距、较强的层间作用力、丰富的功能化、以及可能的原子构型重排等特性,受到了广泛的关注和深入的研究。相比于其他非共价的键合手段,共价连接是一种更为牢固的枢纽。本文中我们将总结讨论层间共价石墨烯材料的构筑方法、性能以及应用。在构筑方法中,依据石墨烯本身的制备方法分为氧化还原法以及化学气相沉积法,而在氧化还原法中,以其宏观材料的形貌分为纸状和纤维状来讨论。接着,我们重点介绍了层间共价对其力学和电学性能的影响,并概述了此类宏观组装体材料的应用。层间共价石墨烯材料继承了石墨烯自身优异的特性,同时也具有宏观组装所赋予的性能,有望在多个领域得到广泛的应用。     

应用于染料敏化太阳能电池的基于染料R6的含有不同吸电子基团的有机染料的理论研究

Dye-sensitized solar cells (DSSCs) are the most promising alternatives to traditional fossil energy because of their advantages of low production cost, facile structure, relatively low environmental impact, relatively high photoelectronic absorption efficiency, and overall high efficiency. In addition, several studies on sensitizers as vital components have been conducted over the last three decades. Compared to metal dyes, metal-free organic dyes have been considered as promising candidates because of their simple fabrication, multiple structures, high molar absorption coefficients, easily tunable properties, and environmental friendliness. In this study, we systematically investigated the optoelectronic properties of six metal-free organic donor-acceptor dyes (RD1–6) derived from the known dye R6 by using the density functional theory (DFT) and time-dependent DFT methods. Cell performance parameters were discussed, including the geometrical and electronic structures, absorption spectrum, adsorption energy, light harvesting efficiency (LHE) curve, predictive short circuit current density (J_sc^Pred.), predictive open circuit voltage (V_oc^Pred.), and theoretical power conversion efficiency (PCE). Results revealed that all the designed dyes exhibited high theoretical PCE. In particular, dyes RD1, 2, and 4–6 showed greater conjugations, and dyes RD1–3 had smaller energy gaps than those of the reference dye. In addition, dyes RD1–3, 5, and 6 exhibited better light harvesting capacities that covered the entire visible region and extended to the near-infrared region with obviously red-shift maximum absorption wavelengths (λ_max), wider LHE curves, and higher J_sc^Pred. as compared to the reference dye. It was critical that dyes RD1 and 2 not only have greater conjugations and narrow band gaps but also good light harvesting capacities with more than 56-nm red-shift maximum absorption wavelengths and broadened LHE curves than those of the reference dye. Notably, mainly because of an average increment of 12.0% of J_sc^Pred., a remarkable increment of the theoretical power conversion efficiency was observed from 12.6% for dye R6 to 14.1% for dyes RD1 and 2. Thus, dyes RD1 and 2 exhibited superior cell performances and could be promising sensitizer candidates for highly efficient DSSCs. These results could be used to guide effective synthetic efforts in the discovery of efficient metal-free organic dye sensitizers in DSSCs.     

多胞材料的力学行为

多胞材料具有独特的力学性质,其工程应用日益增加.人造多胞材料可以分为蜂窝材料和泡沫材料两类.本文介绍了这两类材料在不同载荷条件下力学行为的研究概况.对于某些天然材料(木材和松质骨)的多胞结构及其模型也作了简要介绍.     

EFFECTS OF FINELY DISPERSED METALLIC PALLADIUM ON MICROSTRUCTURE AND PROPERTIES OF NANOCOMPOSITES PRODUCED BY SOL-GEL TECHNIQUE

Nanosized palladium particles were incorporated into mesoporous silica matrix to obtain nanocomposites using the sol-gel technique. Effects of the finely dispersed metallic palladium on the microstructure and properties of the nanocomposites were investigated. By means of X-ray diffraction and optical absorption, it was found that palladium particles were 5-9 nm in diameter and their uniform dispersion in the mesoporous silica depended on both the content of the palladium and the structural features of the silica matrix. The results showed that the mixing method of preparation led to wider size distribution of the nanosized particles as compared to the immersion method, but dispersed degree was reduced. Although the incorporation of nanosized palladium particles could not substantially induce significant structural changes of the matrix, the apparent red-shifted optical absorptions for the nanocomposites were observed as compared to the parent monolithic silica, particularly with increase in palladium loading and calcination temperature.     

损伤体有效弹性性质的细观分析和不变性描述—— 一个考虑微缺陷相互作用的一般理论模式

通过引进微缺陷相互作用张量，建立了一个二维情况下考虑微缺陷（微裂纹或微孔洞）间相互作用的损伤固体有效弹性性质的一般理论模式模型中考虑了微缺陷的几何形状、取向分布和空间分布所造成的有效柔度张量的各向异性和材料中微缺陷之间的相互作用所引起的损伤柔度张量的高阶效应针对微椭圆孔、微圆孔和微裂纹问题，求得了相互作用张量的解析形式     

核电工程地质(五)

核电工程地质(五)古迅(中国科学院地质研究所北京100029)7反应堆厂房周围边坡的勘察、试验和稳定性评价核电厂的核设施, 在任何情况下都必须维持其功能, 确保安全性。     

PBX颗粒力学性质对其撞击感度影响的初步研究

利用自行研制的应力测试系统研究了在机械撞击作用下粉状塑料粘结炸药(PBX)的表现。结果表明,由不同的聚氨酯(PU)溶液处理黑索今(RDX)得到的混和炸药PU-RDX,在机械撞击作用下给出的应力-时间曲线是多样的。而且PU-RDX的机械撞击感度随出现第二个应力峰的时间比(指不同的PU-RDX第二应力峰出现时间和仪器在空打时相应时间比)的增大,有下降的趋势。该时间比在一定程度上代表了粉状PU-RDX的塑性。研究在机械撞击作用下PBX的应力-时间特性有助于理解钝感炸药的机理、改进有关的工艺。     

用白光相对客观散斑技术实测海冰力学性质的初探

本文提出了一种改进的白光散技术，应用此技术测量了单轴压缩下海冰的弹性模量，实测结果与电测法的结果符合程度良好，本文方法操作简单，避免了海水的表面缺隐和浸反射条件差以及表面升华等因素对测量的影响。     

损伤体有效弹性性质的细观分析和不变性描述—— 一个考虑微缺陷相互作用的一般理论模式

通过引进微缺陷相互作用张量，建立了一个二维情况下考虑微缺陷（微裂纹或微孔洞）间相互作用的损伤固体有效弹性性质的一般理论模式模型中考虑了微缺陷的几何形状、取向分布和空间分布所造成的有效柔度张量的各向异性和材料中微缺陷之间的相互作用所引起的损伤柔度张量的高阶效应针对微椭圆孔、微圆孔和微裂纹问题，求得了相互作用张量的解析形式     

山东龙口北皂煤矿软岩力学特性实验研究

根据室内实验结果, 本文讨论了北皂煤矿的岩石力学性质, 物化特性。泥质岩类的力学性质和水理性质、物化特性有关。泥质岩类具有显著的流动变形和各向异性。