X-Ray Absorption and X-Ray Emission Spectroscopy, 2 Volume Set

Theory and Applications
1. Auflage 2016
ISBN: 978-1-118-84423-6
Verlag: Wiley

Buch, Englisch, 896 Seiten, Format (B × H): 197 mm x 261 mm, Gewicht: 2218 g

X-Ray Absorption and X-ray Emission Spectroscopy: Theory and Applications

During the last two decades, remarkable and often spectacular progress has been made in the methodological and instrumental aspects of x-ray absorption and emission spectroscopy. This progress includes considerable technological improvements in the design and production of detectors especially with the development and expansion of large-scale synchrotron reactors All this has resulted in improved analytical performance and new applications, as well as in the perspective of a dramatic enhancement in the potential of x-ray based analysis techniques for the near future. This comprehensive two-volume treatise features articles that explain the phenomena and describe examples of X-ray absorption and emission applications in several fields, including chemistry, biochemistry, catalysis, amorphous and liquid systems, synchrotron radiation, and surface phenomena. Contributors explain the underlying theory, how to set up X-ray absorption experiments, and how to analyze the details of the resulting spectra.

X-Ray Absorption and X-ray Emission Spectroscopy: Theory and Applications:

- Combines the theory, instrumentation and applications of x-ray absorption and emission spectroscopies which offer unique diagnostics to study almost any object in the Universe.

- Is the go-to reference book in the subject for all researchers across multi-disciplines since intense beams from modern sources have revolutionized x-ray science in recent years

- Is relevant to students, postdocurates and researchers working on x-rays and related synchrotron sources and applications in materials, physics,  medicine, environment/geology, and biomedical materials

Autoren/Hrsg.

Bokhoven, Jeroen A van

Lamberti, Carlo

Fachgebiete

• Naturwissenschaften Chemie Analytische Chemie Massenspektrometrie, Spektroskopie, Spektrochemie

Inhaltsverzeichnis

VOLUME I

List of Contributors

Foreword

I INTRODUCTION: HISTORY, XAS, XES, AND THEIR IMPACT ON SCIENCE

1 Introduction: Historical Perspective on XAS

Jeroen A. van Bokhoven and Carlo Lamberti

1.1 Historical Overview of 100 Years of X-Ray Absorption: A Focus on the Pioneering 1913-1971 Period

1.2 About the Book: A Few Curiosities, Some Statistics, and a Brief OverviewII EXPERIMENTAL AND THEORY

2 From Synchrotrons to FELs: How Photons Are Produced; Beamline Optics and Beam Characteristics

Giorgio Margaritondo

2.1 Photon Emission by Accelerated Charges: from the Classical Case to the Relativistic Limit

2.2 Undulators, Wigglers, and Bending Magnets

2.2.1 Undulators

2.2.2 Wigglers

2.2.3 Bending magnets

2.2.4 High flux, high brightness

2.3 The Time Structure of Synchrotron Radiation

2.4 Elements of Beamline Optics

2.4.1 Focusing devices

2.4.2 Monochromators

2.4.3 Detectors

2.5 Free Electron Lasers

2.5.1 FEL optical amplification

2.5.2 Optical amplification in an X-FEL: details

2.5.3 Saturation

2.5.4 X-FEL time structure: new opportunities for spectroscopy

2.5.5 Time coherence and seeding

3 Real-Space Multiple-Scattering Theory of X-ray Spectra

Joshua J. Kas, Kevin Jorisson and John J. Rehr

3.1 Introduction

3.2 Theory

3.2.1 Independent-particle approximation

3.2.2 Real-space multiple-scattering theory

3.2.3 Many body effects in x-ray spectra

3.3 Applications

3.3.1 XAS, EXAFS, XANES

3.3.2 EELS

3.3.3 XES

3.3.4 XMCD

3.3.5 NRIXS

3.3.6 RIXS

3.3.7 Compton scattering

3.3.8 Optical constants

3.4 Conclusion

4 Theory of X-ray Absorption Near Edge Structure

Yves Joly and Stephane Grenier

4.1 Introduction

4.2 The x-ray Absorption Phenomena

4.2.1 Probing material

4.2.2 The different spectroscopies

4.3 X-ray Matter Interaction

4.3.1 Interaction Hamiltonian

4.3.2 Absorption cross-section for the transition between two states

4.3.3 State description

4.3.4 The transition matrix

4.4 XANES General Formulation

4.4.1 Interaction times and the multi-electronic problem

4.4.2 Absorption cross-section main equation

4.5 XANES Simulations in the Mono-Electronic Scheme

4.5.1 From multi- to mono-electronic

4.5.2 The different methods

4.5.3 The multiple scattering theory

4.6 Multiplet Ligand Field Theory

4.6.1 Atomic multiplets

4.6.2 The crystal field

4.7 Current Theoretical Developments

4.8 Tensorial Approaches

4.9 Conclusion

5 How to Start an XAS Experiment

Diego Gianolio

5.1 Introduction

5.2.1 Identify the scientific question

5.2.2 Can XAS solve the problem?

5.2.3 Select the best beamline and measurement mode

5.2.4 Write the proposal

5.3 Prepare the Experiment

5.3.1 Experimental design

5.3.2 Best sample conditions for data acquisition

5.3.3 Sample preparation

5.4 Perform the Experiment

5.4.1 Initial set-up and optimization of signal

5.4.2 Data acquisition

6 Hard X-ray Photon-in/Photon-out Spectroscopy: Instrumentation, Theory and Applications

Pieter Glatzel, Roberto Alonso-Mori, and Dimosthenis Sokaras

6.1 Introduction

6.2 History

6.3 Basic Theory of XES

6.3.1 One- and multi-electron description

6.3.2 X-ray Raman scattering spectroscopy

6.4 Chemical Sensitivity of x-ray Emission

6.4.1 Core-to-core transitions

6.4.2 Valence-to-core transitions

6.5 HERFD and RIXS

6.6 Experimental x-ray Emission Spectroscopy

6.6.1 Sources for x-ray emission spectroscopy

6.6.2 X-ray emission spectrometers

6.6.3 Detectors

6.7 Conclusion

7 QEXAFS: Techniques and Scientific Applications for Time-Resolved XAS

Maarten Nachtegaal, Oliver Muller, Christian Konig and Ronald Frahm

7.1 Introduction

7.2 History and Basics of QEXAFS

7.3 Monochromators and Beamlines for QEXAFS

7.3.1 QEXAFS with conventional monochromators

7.3.2 Piezo-QEXAFS for the millisecond time range

7.3.3 Dedicated oscillating monochromators for QEXAFS

7.4 Detectors and Readout Systems

7.4.1 Requirements for detectors

7.4.2 Gridded ionization chambers

7.4.3 Data acquisition

7.4.4 Angular encoder

7.5 Applications of QEXAFS in Chemistry

7.5.1 Following the fate of metal contaminants at the mineral–water interface

7.5.2 Identifying the catalytic active sites in gas phase reactions

7.5.4 Synthesis of nanoparticles

7.5.5 Identification of reaction intermediates: modulation excitation XAS

7.6 Conclusion

8 Time-Resolved XAS Using an Energy Dispersive Spectrometer: Techniques and Applications

Olivier Mathon, Innokenty Kantor and Sakura Pascarelli

8.1 Introduction

8.2 Energy Dispersive X-Ray Absorption Spectroscopy

8.2.1 Historical development of EDXAS and overview of existing facilities

8.2.2 Principles: source, optics, detection

8.2.3 Dispersive versus scanning spectrometer for time-resolved experiments

8.2.4 Description of the EDXAS beamline at ESRF

8.3 From the Minute Down to the Ms: Filming a Chemical Reaction in Situ

8.3.1 Technical aspects

8.3.2 First stages of nanoparticle formation

8.3.3 Working for cleaner cars: automotive exhaust catalyst

8.3.4 Reaction mechanisms and intermediates

8.3.5 High temperature oxidation of metallic iron

8.4 Down to the µs Regime: Matter under Extreme Conditions

8.4.1 Technical aspects

8.4.2 Melts at extreme pressure and temperature

8.4.3 Spin transitions at high magnetic field

8.4.4 Fast ohmic ramp excitation towards the warm dense matter regime

8.5 Playing with a 100 ps Single Bunch

8.5.1 Technical aspects

8.5.2 Detection and characterization of photo-excited states in Cu+ complexes

8.5.3 Opportunities for investigating laser-shocked matter

8.5.4 Non-synchrotron EDXAS

8.6 Conclusion

9 X-Ray Transient Absorption Spectroscopy

Lin X. Chen

9.1 Introduction

9.2 Pump-Probe Spectroscopy

9.2.1 Background

9.2.2 The basic set-up

9.3 Experimental Considerations

9.3.1 XTA at a synchrotron source

9.3.2 XTA at X-ray free electron laser sources

9.4 Transient Structural Information Investigated by XTA

9.4.1 Metal center oxidation state

9.4.2 Electron configuration and orbital energies of X-ray absorbing atoms

9.4.3 Transient coordination geometry of the metal center

9.5 X-Ray Pump-Probe Absorption Spectroscopy: Examples

9.5.1 Excited state dynamics of transition metal complexes (TMCs)

9.5.2 Interfacial charge transfer in hybrid systems

9.5.3 XTA studies of metal center active site structures in metalloproteins

9.5.4 XTA using the X-ray free electron lasers

9.5.5 Other XTA application examples

9.6 Perspective of Pump-Probe X-Ray Spectroscopy

10 Space-Resolved XAFS, Instrumentations and Applications

Yoshio Suzuki and Yasuko Terada

10.1 Space-Resolving Techniques for XAFS

10.2 Beam-Focusing Instrumentation for Microbeam Production

10.2.1 Total reflection mirror systems

10.2.2 Fresnel zone plate optics for x-ray microbeam

10.2.3 General issues of beam-focusing optics

10.2.4 Requirements on beam stability in microbeam XAFS experiments

10.3 Examples of Beam-Focusing Instrumentation

10.3.1 The total-reflection mirror system

10.3.2 Fresnel zone plate system

10.4

Über Autor(innen)

Jeroen van Bokhoven has been an Associate Professor of Heterogeneous Catalysis in the Department of Chemistry and Applied Biology at ETH since 2010. He completed a degree in chemistry at Utrecht University in 1995 and went on to obtain a PhD in inorganic chemistry and catalysis in 2000. From 1999 until 2002 he was head of the XAS (X-ray absorption spectroscopy) users - support group at Utrecht University. In 2006 he obtained an SNF assistant professorship in the Department of Chemistry and Applied Biology. He was the 2008 recipient of the Swiss Chemical Society Werner Prize. Van Bokhoven works in the field of heterogeneous catalysis and (X-ray) spectroscopy. His main interests are heterogeneous catalysts and developing advanced tools in X-ray spectroscopy to study the catalyst structure under catalytic relevant conditions.
Carlo Lamberti achieved his degree in Physics in 1988 with a thesis in the field of many body Physics. From 1988 to 1993 he worked in the CSELT laboratories Torino, on the characterization of the interfaces of semiconductor heterostructures with high resolution XRD and X-ray absorption spectroscopies. He presented his PhD defense in solid state physics on this topic in Rome in 1993. He was appointed to the position of researcher in October 1998 at the Department of Inorganic, Physical and Materials Chemistry of the Torino University, and as Associate Professor in December 2006. In recent years he has become an expert in the techniques based on Synchrotron Radiation and Neutrons beams in the characterization of materials, performing more than 90 experiments approved by international committees on the following large scale facilities.
He has authored and co-authored more than 200 research articles and five book chapters and two books. He is member of the PhD School in Material Science of the Torino University, and is the Italian coordinator of the MaMaSELF European Master in Materials Science.