X-ray absorption and X-ray emission spectroscopy : theory and applications / edited by Jeroen A. van Bokhoven and Carlo Lamberti.

Format:

Book

Contributor:

van Bokhoven, Jeroen A., editor.

Lamberti, Carlo, editor.

Language:

English

Subjects (All):

X-ray spectroscopy.

Spectrum analysis.

Physical Description:

1 online resource (920 p.)

Edition:

1st ed.

Place of Publication:

West Sussex, England : Wiley, 2016.

Language Note:

English

Summary:

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

Contents:

Intro

X-Ray Absorption and X-Ray Emission Spectroscopy, VOLUME I

Contents

List of Contributors

Foreword

References

Part I Introduction: History, XAS, XES, and Their Impact on Science

1 Introduction: Historical Perspective on XAS

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 Overview

Acknowledgement

Part II Experiment and Theory

2 From Synchrotrons to FELs: How Photons Are Produced

Beamline Optics and Beam Characteristics

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

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

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

5.1 Introduction

5.2 Plan the Experiment

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 Writing the proposal

5.3 Preparing the Experiment

5.3.1 Experimental design

5.3.2 Best sample conditions for data acquisition

5.3.3 Sample preparation

5.4 Performing 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

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

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

7.5.3 Identifying the catalytic active site in liquid phase reactions

7.5.4 Synthesis of nanoparticles

7.5.5 Identification of reaction intermediates: Modulation excitation XAS

7.6 Conclusion and Future Perspectives

Acknowledgements

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

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

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

Acknowledgments

10 Space-Resolved XAFS, Instrumentation and Applications

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 Examples of Applications of the Microbeam-XAFS Technique to Biology and Environmental Science

10.4.1 Speciation of heavy metals in willow.

10.4.2 Characterization of arsenic-accumulating mineral in a sedimentary iron deposit

10.4.3 Feasibility study for microbeam XAFS analysis using FZP optics

10.4.4 Micro-XAFS studies of plutonium sorbed on tuff

10.4.5 Micro-XANES analysis of vanadium accumulation in an ascidian blood cell

10.5 Conclusion and Outlook

11 Quantitative EXAFS Analysis

11.1 A brief history of EXAFS theory

11.1.1 The n-body decomposition in GNXAS

11.1.2 The exact curved wave theory in EXCURVE

11.1.3 The path expansion in FEFF

11.2 Theoretical calculation of EXAFS scattering factors

11.2.1 The pathfinder

11.2.2 The fitting metric

11.2.3 Constraints on parameters of the fit

11.2.4 Fitting statistics

11.2.5 Extending the evaluation of

11.2.6 Other analytic methods

11.3 Practical examples of EXAFS analysis

11.3.1 Geometric constraints on bond lengths

11.3.2 Constraints on the coordination environment

11.3.3 Constraints and multiple data set analysis

11.4 Conclusion

12 XAS Spectroscopy: Related Techniques and Combination with Other Spectroscopic and Scattering Methods

12.1 Introduction

12.2 Atomic Pair Distribution Analysis of Total Scattering Data

12.2.1 Theoretical description

12.2.2 Examples of PDF analysis

12.3 Diffraction Anomalous Fine Structure (DAFS)

12.3.1 Theoretical description

12.3.2 Examples of DAFS

12.4 Inelastic Scattering Techniques

12.4.1 Extended energy-loss fine structure (EXELFS)

12.4.2 X-ray Raman scattering (XRS)

12.5 b-Environmental Fine Structure (BEFS)

12.6 Combined Techniques

12.6.1 General considerations

12.6.2 Selected examples

12.7 Conclusion

Supplemental Images

Part III Applications: From Catalysis via Semiconductors to Industrial Applications.

13 X-Ray Absorption and Emission Spectroscopy for Catalysis.

Notes:

Description based upon print version of record.

Includes bibliographical references and index.

Description based on print version record.

ISBN:

9781118844281

1118844289

9781118844267

1118844262

OCLC:

908287071