Prof Simon Billinge (Professor of Materials Science and of Applied, Assoc. Prof Kirsten Jensen (Associate Professor of Chemistry)
Atomic Pair Distribution Function Analysis
A Primer
Prof Simon Billinge (Professor of Materials Science and of Applied, Assoc. Prof Kirsten Jensen (Associate Professor of Chemistry)
Atomic Pair Distribution Function Analysis
A Primer
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The book is intended for graduate students and other research scientists who are new to atomic pair distribution function (PDF) and want to use the methods but are unsure how to take the next steps to get started.
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The book is intended for graduate students and other research scientists who are new to atomic pair distribution function (PDF) and want to use the methods but are unsure how to take the next steps to get started.
Hinweis: Dieser Artikel kann nur an eine deutsche Lieferadresse ausgeliefert werden.
Hinweis: Dieser Artikel kann nur an eine deutsche Lieferadresse ausgeliefert werden.
Produktdetails
- Produktdetails
- International Union of Crystallography Texts on Crystallography
- Verlag: Oxford University Press
- Seitenzahl: 272
- Erscheinungstermin: 23. Februar 2024
- Englisch
- Abmessung: 250mm x 175mm x 20mm
- Gewicht: 682g
- ISBN-13: 9780198885801
- ISBN-10: 0198885806
- Artikelnr.: 67980360
- Herstellerkennzeichnung
- Libri GmbH
- Europaallee 1
- 36244 Bad Hersfeld
- 06621 890
- International Union of Crystallography Texts on Crystallography
- Verlag: Oxford University Press
- Seitenzahl: 272
- Erscheinungstermin: 23. Februar 2024
- Englisch
- Abmessung: 250mm x 175mm x 20mm
- Gewicht: 682g
- ISBN-13: 9780198885801
- ISBN-10: 0198885806
- Artikelnr.: 67980360
- Herstellerkennzeichnung
- Libri GmbH
- Europaallee 1
- 36244 Bad Hersfeld
- 06621 890
Professor Billinge has dedicated his life to finding and characterizing local structures, local distortions and hidden symmetries in materials. It all started with an undergrad in Metallurgy and Materials Science at Oxford University, then a PhD at University of Pennsylvania. This led to an interest in the physics of materials and the physics of scattering and a 13 year stint in a Physics and Astronomy Department at Michigan State University. Since 2008 he has been in his current position at Columbia University, with an additional 14 year joint appointment at Brookhaven National Laboratory. He is best known for his contributions to the development of the PDF method, the topic of this book, into a powerful modern materials characterization tool. Kirsten M. Ø. Jensen's undergraduate and PhD studies were both completed at Aarhus University in Denmark, graduating in 2013. She was at this point already very interested in structure/property relations in nanoscale materials, and after her PhD, she joined Prof. Billinge's group at Columbia University for a postdoctoral fellowship. She has been at University of Copenhagen since 2015 where she leads her research group. She is known for her innovative application of x-ray scattering methods, and especially PDF analysis, to problems in nanomaterials chemistry.
* 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 phosphonate-phosphate 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 phosphonate-phosphate 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: 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 phosphonate-phosphate 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 phosphonate-phosphate 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