Atomic Pair Distribution Function Analysis
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Atomic Pair Distribution Function Analysis
A Primer
Jensen, Assoc. Prof Kirsten; Billinge, Prof Simon
Oxford University Press
11/2023
272
Dura
Inglês
9780198885801
Pré-lançamento - envio 15 a 20 dias após a sua edição
Descrição não disponível.
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
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
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
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
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
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
