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The polycrystalline and nanocrystalline states play an increasingly important role in exploiting the properties of materials, encompassing applications as diverse as pharmaceuticals, catalysts, solar cells and energy storage. A knowledge of the three-dimensional atomic and molecular structure of materials is essential for understanding and controlling their properties, yet traditional single-crystal X-ray diffraction methods lose their power when only polycrystalline and nanocrystalline samples are available. It is here that powder diffraction and single-crystal electron diffraction techniques take over, substantially extending the range of applicability of the crystallographic principles of structure determination.
This volume, a collection of teaching contributions presented at the Crystallographic Course in Erice in 2011, clearly describes the fundamentals and the state-of-the-art of powder diffraction and electron diffraction methods in materials characterisation, encompassing a diverse range of disciplines and materials stretching from archeometry to zeolites. As such, it is a comprehensive and valuable resource for those wishing to gain an understanding of the broad applicability of these two rapidly developing fields.
List of contents
Preface.- Part 1 - Powder Diffraction.- Powder Diffraction: By Decades.- Rietveld Refinement.- Structure Solution - an Overview.- Inorganic Materials.- Organic Compounds.- Laboratory X-ray Diffraction.- Synchrotron X-Ray Powder Diffraction.- Ultra Fast Powder Diffraction.- Taking it to Extremes - Powder Diffraction at Elevated Pressures.-Structure Solution by Charge Flipping.- Structure Solution: Global Optimisation Methods.- Proteins and Powders: Technical Developments.- Proteins and Powders: An Overview.- Parametric Powder Diffraction.- Powder Diffraction + Computational Methods.- Information on Imperfections.- Pair Distribution Function Technique: Principles and Methods.- Debye Analysis.- Quantitative Phase Analysis.- Quantifying amorphous phases.- Quantitative phase analysis: method developments.- Texture - an Overview.- The future of powder diffraction is 2-D.- Part 2 - Electron crystallography.- Electron Crystallography - New methods to explore Structure and Properties of the Nano World.- Image formation in the Electron Microscope.- Models for Precession Electron Diffraction.- Structure Solution using HRTEM.- Combination of X-ray Powder Diffraction, Electron Diffraction and HRTEM data.- Automated Electron Diffraction Tomography.- Automated Quantitative 3D Electron Diffraction Rotation Tomography.- Introduction to ADT/ADT3D.- Electrostatic Potential determined from Electron Diffraction Data.- Domino Phase Retrieval Algorithm for Structure Solution.- LARBED: Exploring the 4th dimension in Electron Diffraction.- Shadow Imaging for Charge Distribution Analysis.- Electron Diffraction of Protein 3D Nanocrystals.- Parallel-beam Diffraction and Direct Imaging in an aberration-corrected STEM.-Electron diffraction of commensurately and incommensurately modulated Materials.- Detection of Magnetic Circular Dichroism using TEM and EELS.- Index.-
Summary
The polycrystalline and nanocrystalline states play an increasingly important role in exploiting the properties of materials, encompassing applications as diverse as pharmaceuticals, catalysts, solar cells and energy storage. A knowledge of the three-dimensional atomic and molecular structure of materials is essential for understanding and controlling their properties, yet traditional single-crystal X-ray diffraction methods lose their power when only polycrystalline and nanocrystalline samples are available. It is here that powder diffraction and single-crystal electron diffraction techniques take over, substantially extending the range of applicability of the crystallographic principles of structure determination.
This volume, a collection of teaching contributions presented at the Crystallographic Course in Erice in 2011, clearly describes the fundamentals and the state-of-the-art of powder diffraction and electron diffraction methods in materials characterisation, encompassing a diverse range of disciplines and materials stretching from archeometry to zeolites. As such, it is a comprehensive and valuable resource for those wishing to gain an understanding of the broad applicability of these two rapidly developing fields.
