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The three-dimensional pair distribution function analysis of disordered single crystals: basic concepts
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Thomas Weber
Veröffentlicht/Copyright:
9. Februar 2012
Abstract
Theory and principles of the three-dimensional pair distribution function analysis of disordered single crystals are introduced. The mathematical framework is presented and the appearance of pair distribution function patterns is discussed on the examples of some basic disorder models. It is further demonstrated how pair distribution function maps are affected by typical experimental problems. Approaches for a better understanding of such effects and strategies for a proper handing of artifacts in diffuse scattering experiments are proposed.
Published Online: 2012-02-09
Published in Print: 2012-05
© by Oldenbourg Wissenschaftsverlag, Zurich, Germany
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Artikel in diesem Heft
- Preface
- Dynamic pair-density function method for neutron and X-ray inelastic scattering
- The three-dimensional pair distribution function analysis of disordered single crystals: basic concepts
- Quantitative nanostructure characterization using atomic pair distribution functions obtained from laboratory electron microscopes
- On the use of laboratory X-ray diffraction equipment for Pair Distribution Function (PDF) studies
- Atomic ordering in nanosized PtxAu1–x (x = 0, 0.51, 1) by resonant X-ray diffraction and differential atomic pair distribution functions
- Fast time-resolved pair distribution function studies of supported gold nanoparticle formation
- Rare Earth doped ceria: a combined X-ray and neutron pair distribution function study
- Reverse Monte Carlo study of Cu—O bond distortions in YBa2Cu3O6.9
- Development of the local and average structure of a V–Mo–Nb oxide catalyst with Mo5O14-like structure during synthesis from nanostructured precursors
- Variation in the ratio of Mg2Co and MgCo2 in amorphous-like mechanically alloyed MgxCo100–x using atomic pair distribution function analysis
- Pair distribution function analysis of amorphous geopolymer precursors and binders: the importance of complementary molecular simulations
- Static disorder and local structure in zinc(II) isonicotinate, a quartzlike metal–organic framework
Schlagwörter für diesen Artikel
3D-PDF;
pair distribution function analysis;
disorder;
diffuse scattering
Artikel in diesem Heft
- Preface
- Dynamic pair-density function method for neutron and X-ray inelastic scattering
- The three-dimensional pair distribution function analysis of disordered single crystals: basic concepts
- Quantitative nanostructure characterization using atomic pair distribution functions obtained from laboratory electron microscopes
- On the use of laboratory X-ray diffraction equipment for Pair Distribution Function (PDF) studies
- Atomic ordering in nanosized PtxAu1–x (x = 0, 0.51, 1) by resonant X-ray diffraction and differential atomic pair distribution functions
- Fast time-resolved pair distribution function studies of supported gold nanoparticle formation
- Rare Earth doped ceria: a combined X-ray and neutron pair distribution function study
- Reverse Monte Carlo study of Cu—O bond distortions in YBa2Cu3O6.9
- Development of the local and average structure of a V–Mo–Nb oxide catalyst with Mo5O14-like structure during synthesis from nanostructured precursors
- Variation in the ratio of Mg2Co and MgCo2 in amorphous-like mechanically alloyed MgxCo100–x using atomic pair distribution function analysis
- Pair distribution function analysis of amorphous geopolymer precursors and binders: the importance of complementary molecular simulations
- Static disorder and local structure in zinc(II) isonicotinate, a quartzlike metal–organic framework
