Selective adsorption behaviors of guest molecules COR in the hexamer host networks at liquid/solid interface

Here,the selective adsorption behaviors of guest molecule COR in two hexamer host grids were investigated by means of scanning tunnelling microscope(STM).The assembled structures of small functional organic molecules TTBTA and TATBA were thermodynamically stable.Interestingly,the introduction of the guest molecule COR destroyed the original hexamer structure of TTBTA and combined with it to form a new triangular host-guest system.Different from TTBTA,the introduction of the guest molecule COR did not affect the six-membered ring structure of TATBA.Furthermore,the co-assembly structure of TTBTA/TATBA/COR was established and the guest molecule COR showed preferential adsorption to the TATBA host grid.Density functional theory(DFT) calculations had been performed to disclose the mechanism of the involved assemblies.     

Determination of Trace Elements in Marine Cetaceans by ICP-MS and Health Risk AssessmentSCIEI北大核心CSCD

The liver, kidney and muscle samples from seven cetaceans were digested by microwave digestion, and trace elements amounts of V, Cd, Cu, Zn, As, Cr, Ni, Mn, Se, Hg and Pb were determined by inductively coupled plasma mass spectrometry (ICP-MS), and the health risk assessment for Zn, Cu, Cd, Hg, Se in the liver was conducted. The results of international lobster hepatopancreas standard (TORT-2) showed acceptable agreement with the certified values, and the relative standard deviation (RSD) of eleven kinds of trace elements were less than 3.54%, showing that the method is suitable for the determination of trace elements in cetaceans. The experimental results indicated that different tissues and organs of the dolphins had different trace elements, presenting the tissue specificity. There is a certain inter-species difference among different dolphins about the bioaccumulation ability of the trace elements. The distribution of trace elements in whales presented a certain regularity: the contents of most elements in liver, kidney were much higher than the contents of muscle tissues, Cu, Mn, Hg, Se, and Zn exhibit the higher concentrations in liver, while Cd was mainly accumulated in kidney. And according to the health risk assessment in liver, the exceeding standardrate of selenium and copper in seven kinds of whales was 100%, suggesting that these whales were suffering the contamination of trace elements. The experimental results is instructive to the study of trace elements in cetaceans, while this is the first report for the concentrations in organs of Striped dolphin, Bottlenose dolphin, Fraser's Dolphin and Risso's dolphin in China, it may provide us valuable data for the conservation of cetaceans.     

Characteristics of Friedel pairs and diffraction contrast tomography with non‐perpendicular rotation axis

The characteristics of Friedel pairs in diffraction contrast tomography (DCT) are studied in the condition that the rotation axis of the sample is not exactly perpendicular to the incident X‐ray direction. For the rotation axis approximately aligned along the vertical direction, the Friedel pairs close to the horizontal plane are insensitive to the non‐perpendicularity of the rotation axis, and can be used to refine the sample‐to‐detector distance and X‐ray energy, while the Friedel pairs close to the vertical direction are sensitive to the non‐perpendicularity of the rotation axis, and can be used to determine the rotation axis orientation. The correct matching proportion of Friedel pairs decreases with increasing non‐perpendicularity of the rotation axis. A method of data processing considering rotation axis misalignment is proposed, which significantly increases the correct matching and indexing proportions of the diffraction spots. A pure aluminium polycrystalline sample is investigated using DCT at beamline 4W1A of Beijing Synchrotron Radiation Facility. Based on the analysis of Friedel pairs, the sample‐to‐detector distance and X‐ray energy are refined to be 8.67 mm and 20.04 keV, respectively. The non‐perpendicular angle of the rotation axis is calculated to be 0.10°. With these refined geometric parameters, the matching proportion of the spatial position of diffraction spots is 90.62%. Three‐dimensional reconstruction of the sample with 13 grains is realised using the algebraic reconstruction technique. It is demonstrated that the precise correction of the orientation of the sample rotation axis is effective in DCT suffering from rotation axis misalignment, and the higher accuracy in determining the rotation axis is expected to improve the reconstruction precision of grains.     

硅晶体表面石墨烯褶皱形貌的分子动力学模拟研究

本文利用分子动力学的方法和模拟退火技术从原子尺度分析研究了Si (100), Si (111)和Si (211)表面单原子层石墨烯的褶皱形貌及其演化特点. 研究表明, 分别置于Si晶体的三种不同原子表面的石墨烯都展现出原子尺度的褶皱形貌. 石墨烯与Si晶体表面原子的晶格失配是引起石墨烯褶皱的主要原因. 研究发现, Si晶体表面石墨烯的褶皱形貌强烈的依赖于退火温度. 石墨烯的褶皱形貌还将直接影响其在Si晶体表面的吸附稳定性. 这些研究结果有助于人们认识基于Si晶体衬底的石墨烯的结构形貌及其稳定性, 为石墨烯的进一步应用提供理论参考.     

铯47D精细能级超冷里德堡原子自由演化的动力学研究

用连续窄线宽激光器将超冷铯里德堡原子分别激发到47D_3/2, 47D_5/2精细态, 观察了处于里德堡精细态的铯原子向超冷铯等离子体自由演化的过程, 详细对比了不同精细态的铯里德堡原子预电离时间、电离速率以及等离子体的转化效率. 将里德堡原子快速转化为等离子体的过程解释为局域势阱内由预电离产生的电子与里德堡原子的快速碰撞导致的雪崩电离.     

Nd:YAG陶瓷与单晶4F3/2–4I13/2跃迁的弱谱线多波长激光性能对比

报道了基于半导体激光端面抽运Nd:YAG的⁴F_3/2–⁴I_13/2 跃迁的弱谱线多波长激光输出. 实验对比了透明陶瓷与单晶材料的激光输出特性, 表明透明陶瓷和单晶材料荧光谱强度的略微差异, 导致了多波长输出时相同两个波长之间的激光强度比在两种材料中的差异. 基于两种耦合输出镜片, 激光阈值都在2 W左右. 在13.5 W的抽运功率下, 基于Nd:YAG透明陶瓷获得了输出功率4.05 W、强度比1 :2的1338与1356 nm双波长激光和输出功率3.65 W、强度比13 : 1的1356与1414 nm 双波长激光, 斜率效率分别达33.9% 和31.9%.     

AuQ+碰撞氦原子单电离的全微分截面

利用三体扭曲波计算了3.6 MeV/amu的Au^Q+ (Q=24,53)碰撞氦原子单电离的全微分截面,其结果与实验数据和其它理论进行了比较,表明全微分截面受到高电荷入射粒子的强烈影响,敲出的电子被“拖拽”沿着向前的方向. 但是,所有的理论结果都不能呈现实验上全微分截面的独特的向前峰.