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Atomic Pair Distribution Function Analysis : A Primer
Atomic Pair Distribution Function Analysis : A Primer
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Author(s): Billinge, Simon
ISBN No.: 9780198885801
Pages: 272
Year: 202311
Format: Trade Cloth (Hard Cover)
Price: $ 115.88
Dispatch delay: Dispatched between 7 to 15 days
Status: Available

1. Introduction and review 1.1 What this book is not 1.2 What this book is 1.3 Why PDF? 1.4 Software 2. PDF Primer 2.1 Introduction 2.


2 X-ray scattering from materials 2.3 Obtaining the PDF from x-ray total scattering data 2.4 The pair distribution function 2.5 Extracting structural information from the PDF 2.6 Measurement of total scattering data 2.7 It is time to start modelling! 3. PDF modelling of simple crystal structures: Bulk Ni and Pt nanoparticles 3.1 Introduction and overview 3.


2 The question 3.3 The result 3.4 The experiment 3.5 What next? 3.6 Wait, what? How do I do that? 3.7 Problems 3.8 Solution 3.9 Diffpy-CMI solution 4.


Getting the PDF 4.1 Introduction and overview 4.2 The question 4.3 The result 4.4 The experiment 4.5 What next? 4.6 Wait, what? How do I do that? 4.7 results 4.


8 problems 4.9 solution 5. Quantification of sample phase composition: physical mixtures of Si and Ni 5.1 Introduction and overview 5.2 The question 5.3 The result 5.4 The experiment 5.5 What next? 5.


6 Wait, what? How do I do that? 5.7 Problems 5.8 Solution 5.9 Diffpy-CMI Solution 6. More advanced crystal structure modeling: the room-temperature structure of crystalline Ba0.7K0.3(Zn0.85Mn0.


15)2As2 6.1 Introduction and overview 6.2 The question 6.3 The result 6.4 The experiment 6.5 What next? 6.6 Wait, what? How do I do that? 6.7 Problems 6.


8 Solution 6.9 Diffpy-CMI Solution 7. Investigating the tetragonal-to-orthorhombic phase transition in SrFe2As2 7.1 Introduction and overview 7.2 The question 7.3 The result 7.4 The experiment 7.5 What next? 7.


6 Wait, what? How do I do that? 7.7 Problems 7.8 Solution 7.9 Diffpy-CMI Solution 8. Simple modeling of nanoparticles: Size-dependent structure, defects and morphology of quantum dot nanoparticles 8.1 Introduction and overview 8.2 The question 8.3 The result 8.


4 The experiment 8.5 What next? 8.6 Wait, what? How do I do that? 8.7 Problems 8.8 Solutions 8.9 Diffpy-CMI Solution 9. Local structure in a crystal with short-range ordered lower-symmetry domains: Local iridium dimerization and triclinic distortions in cubic CuIr1.76Cr0.


24S4 9.1 Introduction and overview 9.2 The question 9.3 The result 9.4 The experiment 9.5 What next? 9.6 Wait, what? How do I do that? 9.7 Problems 9.


8 Solution 9.9 Diffpy-CMI Solution 10. Nano and polycrystalline thin films: Local structure of nanocrystalline TiO2 grown on glass 10.1 Introduction and overview 10.2 The question 10.3 The result 10.4 The experiment 10.5 What next? 10.


6 Wait, what? How do I do that? 10.7 Problems 10.8 Solution 10.9 Diffpy-CMI Solution 11. Structure of discrete tetrahedral quantum dots: Atomically precise CdSe tetrahedral nanoclusters 11.1 Introduction and overview 11.2 The question 11.3 The result 11.


4 The experiment 11.5 What next? 11.6 Wait, what? How do I do that? 11.7 Problems 11.8 Solution 12. Structure and intercalation environment of disordered layered materials: zirconium phosphonateDSphosphate unconventional MOFs 12.1 Introduction . 12.


2 The question 12.3 The result 12.4 The experiment 12.5 What next? 12.6 Wait, what? How do I do that? 12.7 Problems 12.8 Solution 13. Magnetic PDF 13.


1 Introduction and overview 13.2 The question 13.3 The result 13.4 The experiment 13.5 What next? 13.6 Wait, what? How do I do that? 13.7 Problems 13.8 Solution 14.


Tips and Tricks: PDF measurements 14.1 Introduction and overview 14.2 Basic overview: what are total scattering data? 14.3 What type of radiation should I use? 14.4 Detectors 14.5 Sample geometries 14.6 Samples 14.7 Sample environments 15.


More PDF Tips and Tricks 15.1 Introduction 15.2 PXRD or PDF, Q-space or r-space analysis? 15.3 Model-free analysis of PDF 15.4 More options for PDF modelling 15.5 Automated PDF modelling 15.6 Final words 16. Appendix 1: Python 16.


1 Introduction 16.2 Installing Python programs 16.3 The terminal and the command prompt 16.4 Python IDE''s and Jupyter Notebooks 17. Appendix 2: Data processing and integration 17.1 Introduction Bibliography.


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