测定微小晶体结构的电子晶体学图像处理技术

介绍了2005年国家自然科学奖二等奖获奖项目“微小晶体结构测定的电子晶体学研究”.研究目的是建立一种借助高分辨电子显微像测定晶体结构的新方法.为此提出了高分辨电子显微学与衍射晶体学相结合的思想,在实现此思想的过程中,研究了像衬的规律,得出实用的像衬公式和理论,阐明了不同种类原子像衬与晶体厚度的关系,而且用理论指导实验,观察到晶体中锂原子的像衬.以此理论为依据,把衍射晶体学中的多种分析方法特包是直接法引入到高分辨电子显微学中,建立了一套全新的电子晶体学图像处理技术,开发了相应的可视化专用软件包,并应用于测定多个未知晶体结构.文中逐一介绍了研究工作全过程的关键问题和研究结果.     

直接法应用于蛋白质二维晶体的电子晶体学图像处理

试把直接法应用于抗生蛋白链菌素(streptavidin)沿［001］方向投影的模拟像和相应的理论结构因子作图像处理.先用两张高分辨电子显微像作直接法解卷,以互补因衬度传递函数的作用而损失的结构信息,求得的欠焦值比用单张像解卷的结果更接近真实值.把从结构模型计算出的030nm以内的相位,以及025nm以内的振幅作为起始数据,进行直接法相位外 推,并借助团簇分析方法得到030nm至025nm之间的相位.所得分辨率为030nm的解卷像 和分辨率为025nm的晶体结构投影均与理论结构模型的相应投影电 关键词： 高分辨电子显微学 直接法 图像处理     

高分辨电子显微学与电子衍射相结合的图像处理方法

介绍了一种测定晶体结构的图像处理技术，它基于高分辨电子显微学与电子电子衍射的结合。中给出了其方法的示意图。     

高分辨电子显微学的拓荒者——缅怀李方华先生

2020年的春节格外沉重。突如其来的新冠病毒疫情威胁,导致我们关停了实验室,停止了大部分的正常工作。就在这个除夕夜我们悲痛地失去了一位良师益友、杰出的晶体物理学家——李方华先生。李先生在电子衍射和电子显微图像处理领域深耕数十年,是中国单晶体电子衍射结构分析的开创者、建立和发展高分辨电子显微学的代表人物。     

电子稳像技术及其发展

简单介绍了电子稳像技术的基本概念及产生、发展过程 ,重点分析了几种典型的电子稳像系统 ,在此基础上给出了其原理工作框图 ,并详细阐述了电子稳像技术的实质及其目前发展方向     

无悔岁月有穷尽 物理人生竞芳华

<正>2020年的春节注定不平静。不仅因为新冠肺炎疫情之伤,还有著名女物理学家李方华先生辞世之痛。李方华先生1932年生于中国香港,成长于内地,1956年毕业于苏联列宁格勒大学物理系。从苏联学成归国后一直在中国科学院物理研究所工作。她主要从事衍射物理、高分辨电子显微学和晶体学研究,在高分辨电子显微像的衬度理论和图像处理理论与方法研究、微小     

电子叠层衍射成像技术的突破及应用

像差校正透射电子显微镜是材料微观结构和物态高分辨率表征最常用的工具之一,极大地推动了相关学科的发展。近年来,电子显微学领域一个新的突破是电子叠层衍射成像技术。它突破了常规成像技术分辨率的极限,实现了原子晶格振动决定的终极分辨率,并且能够实现纳米尺度电磁物态的高精度成像。文章主要简述了电子叠层衍射成像技术的发展历程、原理和最新进展,最后讨论其应用前景和未来展望。     

Co基磁性隧道结势垒结构的电子全息研究

利用高分辨电子显微术和电子全息方法研究了Co基磁性隧道结退火热处理前后的微观结构及相应势垒层结构的变化. 研究结果表明，退火处理可以明显地改善势垒层和顶电极、底电极之间的界面质量，改进势垒层本身的结构. 这与该磁性隧道结经过280℃退火处理后，隧道磁电阻值大大增加是一致的. 关键词： 磁性隧道结 隧道磁电阻 高分辨电子显微学 电子全息     

冷冻电镜单颗粒技术的发展、现状与未来

近年来冷冻电子显微镜成像技术突飞猛进,越来越广泛地应用于生物大分子的高精度结构研究中,尤其在解析其他方法难以应对的蛋白质复合物的结构研究方面取得了瞩目的进展。文章对冷冻电镜单颗粒重构技术近年来的发展做了回顾和总结,重点介绍了冷冻电镜单颗粒重构技术中的基本流程及其使用的图像处理技术和算法,并对近年来人们重点关注的问题进行了讨论。最后对冷冻电镜单颗粒重构技术未来的发展趋势,尤其是对细胞内原位的分子结构以及蛋白质分子的动态信息的捕捉等方面进行了初步的探讨。     

若干In2Se3化合物的晶体结构与电子特性

In_2Se_3是一种常见的A_2~ⅢB_3~Ⅵ型半导体,在不同温度下可表现出不同的物相,对应的晶格参数与物理性质也会有所不同.在过去几十年间,In_2Se_3的多相性引起了人们的关注,各物相的晶体结构被广泛地研究.近年来,研究发现α-In_2Se_3具有优异的光电、压电性能以及独特的铁电性能,可以预见它将在未来的半导体电子器件中发挥出重要的作用.本文综述了一系列In_2Se_3化合物的晶体结构与电子特性,我们首先简要介绍了这些In_2Se_3化合物的基本知识,接着详细讨论了它们的晶体结构与电子特性,最后对In_2Se_3化合物的研究前景进行了展望.     

Direct structure determination by electron crystallography: Protein data sets

Applications of the Sayre equation to the electron crystallographic analysis of protein structures are demonstrated. Starting with a lower-resolution basis phase set obtained from the Fourier-transform of an electron micrograph, it is possible, for example, to extend directly to the higher resolution of the electron diffraction pattern. Examples of such analyses include bacteriorhodopsin, halorhodopsin and the Omp F porin from the outer membrane of Eschirichia coli. If a multisolution approach is taken, it may also be possible to carry out ab initio phase determinations, as demonstrated with low-resolution diffraction amplitudes from a negatively-stained membrane protein crystal.     

Intergrowth microstructures of MnF2 subjected to shock compression

Intergrowth microstructures of MnF₂ subjected to shock compression at 4.4, 9.0 and 21.6 GPa were examined using transmission electron microscopy (TEM). Intergrowth microstructures consisting of rutile- and α-PbO₂-type phases were observed in samples shock-loaded to 4.4 and 9 GPa. The sample subjected to 21.6 GPa consisted of a twin structure with stacking faults, with a rutile-type but not the α-PbO₂-type phase. In the 9.0-GPa shocked sample, the phase ledge structure originating from a phase transition is directly captured by high-resolution transmission electron microscopy.     

LEED crystallographic analysis for the structure formed by 2 ML of O at the Zr(0001) surface

A tensor LEED analysis is reported for the Zr(0001)-(1 × 1)-O surface which involves oxygen at a total coverage of 2 monolayers. The structure is indicated to have two layers of O: one forms an overlayer in which the O atoms bond to hollow sites of three-fold coordination on the regular metal surface, while the other layer has the O atoms in tetrahedral hole sites between the first and second metal layers. The stacking sequence, designated as (C)B(A)AB... corresponds to the first three layers of anion-terminated cubic ZrO₂, although some lateral compression is needed for superposition on the regular hcp Zr structure. The absorption of O in the tetrahedral holes results in a significant expansion in the first-to-second Zr---Zr interlayer spacing to about 3.44 Å from the bulk vaue of 2.57 Å. The O---Zr bond lengths are estimated to equal 2.07 Å for the overlayer O atoms, and 2.21 Å for the O atoms in tetrahedral hole sites. Comparisons are made with the structures of the corresponding 0.5 and 1 ML surfaces formed by the O/Zr(0001) system.     

Atomic structure of Cu2O(1 1 1)

Low-energy electron diffraction and scanning tunneling microscopy have been used to probe the surface atomic structure of Cu₂O(1 1 1) after various sample preparations. Annealing in oxygen gives a stoichiometric (1 × 1) oxygen terminated surface and further annealing in ultra-high vacuum results in a clear reconstruction and surface faceting. Tunneling from filled states in the reconstructed surface reveals a hexagonal pattern of large protrusions, which show an internal structure. The reconstruction is believed to be due to one-third of a monolayer of ordered oxygen vacancies. At areas on the surface where the large features are missing, another smaller type of protrusions is visible, which is associated with the ideal (1 × 1) surface. The relative position of the two types of features gives two possible models of the (1 1 1) surface. In the first model, the (1 × 1) surface is the ideal bulk terminated surface and coordinatively unsaturated oxygen ions are missing in the reconstructed surface. The second model agrees with the first model with the exception that coordinatively unsaturated copper ions in the outmost copper layer are missing in both the (1 × 1) and the reconstructed surface. The latter model is supported by previous surface free energy calculations. Since the undercoordinated copper ions have been suggested to be the catalytic active sites of Cu₂O(1 1 1), the presence or absence of these cations could be of great importance for the fundamental understanding of the surface reactivity of Cu₂O and of copper-based catalysts.     

LEED structure determination of the Ni(1 1 1)(√3×√3)R30°-Sn surface

Quantitative low energy electron diffraction has been used to determine the structure of the Ni(1 1 1)(√3×√3)R30°-Sn surface phase. The results confirm that the surface layer comprises a substitutional alloy of composition Ni₂Sn as previously found by low energy ion scattering (LEIS), and also shows that there is no stacking fault at the substrate/alloy interface as has been found in (√3×√3)R30°-Sb surface alloys on Ag and Cu(1 1 1). The surface alloy layer is rumpled with the Sn atoms 0.45 ± 0.03 Å higher above the substrate than the surrounding Ni atoms. This rumpling amplitude is almost identical to that previously reported on the basis of the LEIS study. Comparison with similar results for Sn-induced surface alloy phases on Ni(1 0 0) and Ni(1 1 0) shows a clear trend to reduced rumpling with reduced surface atomic layer density, an effect which can be rationalised in terms of the different effects of valence electron charge smoothing at the surface.     

Surface chemistry and catalysis of oxide model catalysts from single crystals to nanocrystals

Fundamental understandings of surface chemistry and catalysis of solid catalysts are of great importance for the developments of efficient catalysts and corresponding catalytic processes, but have been remaining as a challenge due to the complex nature of heterogeneous catalysis. Model catalysts approach based on catalytic materials with uniform and well-defined surface structures is an effective strategy. Single crystals-based model catalysts have been successfully used for surface chemistry studies of solid catalysts, but encounter the so-called “materials gap” and “pressure gap” when applied for catalysis studies of solid catalysts. Recently catalytic nanocrystals with uniform and well-defined surface structures have emerged as a novel type of model catalysts whose surface chemistry and catalysis can be studied under the same operational reaction condition as working powder catalysts, and they are recognized as a novel type of model catalysts that can bridge the “materials gap” and “pressure gap” between single crystals-based model catalysts and powder catalysts. Herein we review recent progress of surface chemistry and catalysis of important oxide catalysts including CeO₂, TiO₂ and Cu₂O acquired by model catalysts from single crystals to nanocrystals with an aim at summarizing the commonalities and discussing the differences among model catalysts with complexities at different levels. Firstly, the complex nature of surface chemistry and catalysis of solid catalysts is briefly introduced. In the following sections, the model catalysts approach is described and surface chemistry and catalysis of CeO₂, TiO₂ and Cu₂O single crystal and nanocrystal model catalysts are reviewed. Finally, concluding remarks and future prospects are given on a comprehensive approach of model catalysts from single crystals to nanocrystals for the investigations of surface chemistry and catalysis of powder catalysts approaching the working conditions as closely as possible.