Structure solution with automated electron diffraction tomography data: different instrumental approaches

2011 ◽  
Vol 244 (3) ◽  
pp. 325-331 ◽  
Author(s):  
T.E. GORELIK ◽  
A.A. STEWART ◽  
U. KOLB
Keyword(s):  
Electron Diffraction ◽  
Diffraction Tomography ◽  
Structure Solution ◽  
Instrumental Approaches ◽  
Tomography Data

3D electron diffraction techniques

2019 ◽  
Vol 75 (4) ◽  
pp. 495-504 ◽  
Author(s):  
Mauro Gemmi ◽  
Arianna E. Lanza
Keyword(s):  
Structural Analysis ◽  
Electron Diffraction ◽  
High Sensitivity ◽  
Reliable Data ◽  
Zone Axis ◽  
Diffraction Tomography ◽  
Proof Of Concept ◽  
Structure Solution ◽  
Continuous Rotation ◽  
3D Electron

3D electron diffraction is an emerging technique for the structural analysis of nanocrystals. The challenges that 3D electron diffraction has to face for providing reliable data for structure solution and the different ways of overcoming these challenges are described. The route from zone axis patterns towards 3D electron diffraction techniques such as precession-assisted electron diffraction tomography, rotation electron diffraction and continuous rotation is also discussed. Finally, the advantages of the new hybrid detectors with high sensitivity and fast readout are demonstrated with a proof of concept experiment of continuous rotation electron diffraction on a natrolite nanocrystal.

scholarly journals Accurate structure refinement from electron diffraction tomography data

2015 ◽  
Vol 71 (a1) ◽  
pp. s53-s53
Author(s):  
Lukáš Palatinus ◽  
Cinthia A. Correa ◽  
Philippe Boullay ◽  
Gwladys Steciuk ◽  
Mauro Gemmi ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Structure Refinement ◽  
Diffraction Tomography ◽  
Tomography Data

scholarly journals Application of Patterson-function direct methods to materials characterization

IUCrJ ◽  
2014 ◽  
Vol 1 (5) ◽  
pp. 291-304 ◽  
Author(s):  
Jordi Rius
Keyword(s):  
Fourier Coefficients ◽  
Direct Methods ◽  
Materials Characterization ◽  
Diffraction Tomography ◽  
General Description ◽  
Powder Diffraction Data ◽  
Patterson Function ◽  
Structure Solution ◽  
The Common ◽  
Tomography Data

The aim of this article is a general description of the so-called Patterson-function direct methods (PFDM), from their origin to their present state. It covers a 20-year period of methodological contributions to crystal structure solution, most of them published inActa Crystallographica Section A. The common feature of these variants of direct methods is the introduction of the experimental intensities in the form of the Fourier coefficients of origin-free Patterson-type functions, which allows the active use of both strong and weak reflections. The different optimization algorithms are discussed and their performances compared. This review focuses not only on those PFDM applications related to powder diffraction data but also on some recent results obtained with electron diffraction tomography data.

Structure solution and refinement of metal-ion battery cathode materials using electron diffraction tomography

2019 ◽  
Vol 75 (4) ◽  
pp. 485-494 ◽  
Author(s):  
Joke Hadermann ◽  
Artem M. Abakumov
Keyword(s):  
Electron Diffraction ◽  
Cathode Materials ◽  
Metal Ion ◽  
Structural Changes ◽  
Liquid Electrolyte ◽  
Ex Situ ◽  
Diffraction Tomography ◽  
Transmission Electron ◽  
Structure Solution ◽  
Electrochemical Cycling

The applicability of electron diffraction tomography to the structure solution and refinement of charged, discharged or cycled metal-ion battery positive electrode (cathode) materials is discussed in detail. As these materials are often only available in very small amounts as powders, the possibility of obtaining single-crystal data using electron diffraction tomography (EDT) provides unique access to crucial information complementary to X-ray diffraction, neutron diffraction and high-resolution transmission electron microscopy techniques. Using several examples, the ability of EDT to be used to detect lithium and refine its atomic position and occupancy, to solve the structure of materials ex situ at different states of charge and to obtain in situ data on structural changes occurring upon electrochemical cycling in liquid electrolyte is discussed.

Phase Identification and Structure Solution by Three-Dimensional Electron Diffraction Tomography: Gd–Phosphate Nanorods

2014 ◽  
Vol 53 (10) ◽  
pp. 5067-5072 ◽  
Author(s):  
Arnaud Mayence ◽  
Julien R. G. Navarro ◽  
Yanhang Ma ◽  
Osamu Terasaki ◽  
Lennart Bergström ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Three Dimensional ◽  
Phase Identification ◽  
Diffraction Tomography ◽  
Dimensional Electron ◽  
Structure Solution

Fast electron diffraction tomography

2015 ◽  
Vol 48 (3) ◽  
pp. 718-727 ◽  
Author(s):  
Mauro Gemmi ◽  
Maria G. I. La Placa ◽  
Athanassios S. Galanis ◽  
Edgar F. Rauch ◽  
Stavros Nicolopoulos
Keyword(s):  
Crystal Structure ◽  
Electron Diffraction ◽  
Direct Methods ◽  
Diffraction Tomography ◽  
Automatic Data ◽  
Cell Parameters ◽  
Continuous Rotation ◽  
Fully Automatic ◽  
Data Collections ◽  
Tomography Data

A fast and fully automatic procedure for collecting electron diffraction tomography data is presented. In the case of a very stable goniometer it is demonstrated how, by variation of the tilting speed and the CCD detector parameters, it is possible to obtain fully automatic precession-assisted electron diffraction tomography data collections, rotation electron diffraction tomography data collections or new integrated electron diffraction tomography data collections, in which the missing wedge of the reciprocal space between the patterns is recorded by longer exposures during the crystal tilt. It is shown how automatic data collection of limited tilt range can be used to determine the unit-cell parameters, while data of larger tilt range are suitable to solve the crystal structureabinitiowith direct methods. The crystal structure of monoclinic MgMoO4has been solved in this way as a test structure. In the case where the goniometer is not stable enough to guarantee a steady position of the crystal over large tilt ranges, an automatic method for tracking the crystal during continuous rotation of the sample is proposed.

scholarly journals Quantitative electron diffraction tomography for the structure solution of cathode materials for Li-ion batteries

2016 ◽  
pp. 790-791
Author(s):  
Olesia Karakulina ◽  
Stanislav Fedotov ◽  
Vasiliy Sumanov ◽  
Oleg Drozhzhin ◽  
Nellie Khasanova ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Cathode Materials ◽  
Diffraction Tomography ◽  
Li Ion Batteries ◽  
Structure Solution ◽  
Li Ion

Automated diffraction tomography combined with electron precession: a new tool for ab initio nanostructure analysis

2009 ◽  
Vol 1184 ◽  
Author(s):  
Ute Kolb ◽  
Tatiana Gorelik ◽  
Enrico Mugnaioli
Keyword(s):  
Electron Diffraction ◽  
Ab Initio ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Direct Methods ◽  
Electron Diffraction Data ◽  
Diffraction Tomography ◽  
Diffraction Mode ◽  
Structure Solution

AbstractThree-dimensional electron diffraction data was collected with our recently developed module for automated diffraction tomography and used to solve inorganic as well as organic crystal structures ab initio. The diffraction data, which covers nearly the full relevant reciprocal space, was collected in the standard nano electron diffraction mode as well as in combination with the precession technique and was subsequently processed with a newly developed automated diffraction analysis and processing software package. Non-precessed data turned out to be sufficient for ab initio structure solution by direct methods for simple crystal structures only, while precessed data allowed structure solution and refinement in all of the studied cases.

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